Presentations

[191] Bhawna Sahni and Neophytos Neophytou, “Efficient ab-initio method for electronic transport computations: the example of NbFeSb,”  UK Thermoelectrics Network Meeting 2024, ISIS, Didcot, UK, November 13th, 2024.

[190] Neophytos Neophytou “Advanced electronic transport simulations for understanding and designing thermoelectric materials,” UK Thermoelectrics Network Meeting 2024, ISIS, Didcot, UK, November 13th, 2024. (invited talk)

[189] Rajeev Dutt, B. Sahni, Zhen Li, P. Graziosi, N. Neophytou, ‘The importance of polar optical phonon scattering in the thermoelectric properties of half-Heuslers,’ 40th International & 20th European Conference on Thermoelectrics (ICT/ECT 2024),  30 June – 4 July 2024. [link to ICT/ECT]


[188] Bhawna Sahni, Z. Li, Rajeev Dutt, P. Graziosi, and N.Neophytou, ‘Efficient ab initio electronic transport computations in half-Heuslers: the example of NbFeSb,’ 40th International & 20th European Conference on Thermoelectrics (ICT/ECT 2024),  30 June – 4 July 2024. [link to ICT/ECT]


[187] Bhawna Sahni, Z. Li, Rajeev Dutt, P. Graziosi, and N.Neophytou,

Poster: ‘Efficient ab initio electronic transport computations in half-Heuslers: the example of NbFeSb,’ 40th International & 20th European Conference on Thermoelectrics (ICT/ECT 2024),  30 June – 4 July 2024. [link to ICT/ECT]

[186] Neophytos Neophytou, Z. Li, R. Dutt, B. Sahni, P. Graziosi, ‘Efficient electronic transport simulations with ab initio accuracy,’ 40th International & 20th European Conference on Thermoelectrics (ICT/ECT 2024),  30 June – 4 July 2024. (invited talk) [link to ICT/ECT ]


[185] Pankaj Priyadarshi and Neophytos Neophytou, ‘Enhancing the thermoelectric power factor of hybrid solid/liquid porous material systems using advanced simulations,’

Poster: ‘Efficient ab initio electronic transport computations in half-Heuslers: the example of NbFeSb,’ 40th International & 20th European Conference on Thermoelectrics (ICT/ECT 2024),  30 June – 4 July 2024. [link to ICT/ECT]


[184] Bhawna Sahni, Zhen Li, Rajeev Dutt, Patrizio Graziosi and Neophytos Neophytou, Poster: ‘Efficient ab initio electronic transport computations in half-Heuslers: the example of NbFeSb,’ School on Electron-Phonon Physics, Many-Body Perturbation Theory and Computational Workflows, University of Texas, Austin, TX, 10-16 June, 2024. [link]


[183] Pankaj Priyadarshi and Neophytos Neophytou, ‘Improving the power factor of thermoelectric materials in hybrid solid/liquid systems,’ EMRS Spring Meeting, Strasbourg, France, 27-31 May 2024. [link to EMRS]


[182] Neophytos Neophytou, Zhen Li, and Patrizio Graziosi, ‘Electronic transport simulations in thermoelectric materials beyond the constant relaxation time approximation,’ MRS Spring Meeting, Seattle, WA, USA, April 2024 (invited talk).


[181] Pankaj Priyadarshi, Vassilios Vargiamidis, and Neophytos Neophytou, ‘Thermoelectric power factor enhancement in hybrid solid/liquid porous material systems: A simulation approach,’ MRS Spring Meeting, Seattle, WA, USA, April 2024. [link]

[180] Saff e Awal Akhtar, and Neophytou Neophytos,

Poster: ‘Intra- versus inter-band scattering effects on the power factor of thermoelectric materials,’ Frontiers in Thermal and Electronic Transport in Materials: A Tribute to Nicola Bonini, King’s College London, London, UK, April 2024. [link]


[179] Yuji Go, Bhawna Sahni and Neophytos Neophytou, 

Poster: ‘Scattering Exponents for Complex Bandstructure Materials,’ Frontiers in Thermal and Electronic Transport in Materials: A Tribute to Nicola Bonini, Kings College London, UK, April 2024. [link]


[178] Bhawna Sahni, Zhen Li, Rajeev Dutt, Patrizio Graziosi, and Neophytos Neophytou

Poster: ‘Electronic transport computation for half-Heusler alloys: the example of NbFeSb,’ Frontiers in Thermal and Electronic Transport in Materials: A Tribute to Nicola Bonini, Kings College London, UK, April 2024. [link]


[177] Rajeev Dutt, Bahwna Sahni, Zhen Li, Patrizio Graziosi, Neophytou Neophytos,

Poster: ‘Role of electronegativity on the band edges and thermoelectric properties of half Heusler alloys,’ WIEN2k Hands-On Workshop for New and Existing Users, Trieste, Italy, April 2024. [link] 


[176] Rajeev Dutt, Bahwna Sahni, Zhen Li,  Patrizio Graziosi, Neophytos Neophytou,

Poster: ‘Role of electronegativity on the band edges and thermoelectric properties of half Heusler alloys,’ 5th Lobster workshop, Aalto, Finland, March 2024. [link to Lopster]

[175] Patrizio Graziosi and Neophytos Neophytou, ‘Band anisotropy can allow for ultra-high thermoelectric power factors in metals, semimetals and narrow gap materials,’ Italian Thermoelectric Society Meeting, February 2024.


[174] Pankaj Priyadarshi and Neophytos Neophytou, ‘Computational analysis of hybrid porous-solid/electrolyte systems for optimal thermoelectric power,’ UK Thermoelectric Network, Univ. of Southampton, November 2023.


[173] Neophytos Neophytou, Patrizio Graziosi, and Zhen Li, ‘Efficient and Accurate Electronic Transport Simulations for Complex Bandstructure Materials,’ 2023 IEEE Nanotechnology Materials and Devices Conference (NMDC), October 22-25, 2023, Paestum (Salerno), Italy, 2023. (invited talk)


[172] P. Priyadarshi, S. C. Ruiz, Jorge García‐Cañadas, N. Neophytou, ‘Advanced simulations of hybrid porous‐solid/electrolyte materials for enhanced power factors,’ 19th European Conference on Thermoelectrics, ECT, Prague, Czechia, Sept. 2019.


[171] A.Masci, E.Dimaggio, C.Capello, D.Narducci, N.Neophytos, G.Pennelli, ‘Large enhancement of the silicon power factor in on‐chip multi‐barrier nanodevices,’ 19th European Conference on Thermoelectrics, ECT, Prague, Czechia, Sept. 2019.

[170] N. Neophytou, Z. Li, P. Graziosi, ‘Electronic transport simulations in complex band materials beyond the constant relaxation time approximation,’ 19th European Conference on Thermoelectrics, ECT, Prague, Czechia, Sept. 2019. (invited talk)

[169] Z. Li, P. Graziosi, N. Neophytou, ‘Efficient and accurate calculations of thermoelectric coefficients for materials with complex bands: The example of Mg3Sb2,’ 19th European Conference on Thermoelectrics, ECT, Prague, Czechia, Sept. 2019.

[168] Zhen Li, Patrizio Graziosi and Neophytos Neophytou,

Poster: ‘Efficient and reliable scattering rate extraction of complex band thermoelectric materials in first-principles calculations,’ 2nd CASTEP Community Conference, University of Warwick, UK, July 2023. [link to CASTEP]

[167] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou (Presented by Byungki Ryu, KERI), ‘Efficient and accurate ab initio computation of thermoelectric coefficients of materials with complex band: The example of Mg3Sb2,’ Int. Conf. on Thermoelectrics, ICT, Seattle, USA, June 2023. [link to ICT]


[166] Z. Li, P. Graziosi, and N. Neophytou, ‘Efficient ab initio electronic transport methods,’ Int. Workshop on Comput. Nanotechnol., IWCN, Barcelona, Spain, June 2023. [link to IWCN]


[165]  Pankaj Priyadarshi and Neophytos Neophytou,
Poster: ‘Efficient Monte Carlo Electron Transport Formalism for Highly Nanostructured Materials,’ Int. Workshop on Comput. Nanotechnol., IWCN, Barcelona, Spain, June 2023. [link to IWCN]

[164] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Efficient and reliable first-principles calculation method for evaluating electronic transport in complex materials,’  EMRS Spring, Strasburg, France, 2023. [link to EMRS]


[163] Mauricio Solis De La Fuente et al., ‘Parallel combination of electrically conducting materials and redox electrolytes for the heat-to-electricity energy conversion,’ EMRS Spring, Strasburg, France, 2023. [link to EMRS]


[162] Pankaj Priyadarshi and Neophytos Neophytou, ‘A novel Monte Carlo simulation algorithm method for electron transport in complex nanostructured thermoelectric materials,’ APS March Meeting 2023, virtual. [link to APS]


[161] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Efficient and reliable scattering rate extraction for materials with complex band structures using first-principles calculations’. [link to APS]

[160] Neophytos Neophytou, ‘Computational methods for thermoelectric transport in complex band materials,’ 6th Forum of Materials Genome Engineering (ForMGE), Chinese Academy of Engineering and the Chinese Materials Research Society, Hangzhou, China, February 17th 2023, invited plenary talk. [link to ForMGE]


[159] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Efficient and reliable thermoelectric transport simulations with ab initio scattering rates using the ElecTra code,’ UK TE Network Meeting, 23 Nov., 2022. [link to UK TE Network]


[158] Neophytos Neophytou, ‘Electronic and thermoelectric properties of complex band materials from first principles,’ Computing in Engineering Forum 2022, University of Wisconsin-Madison, Sept 2022, virtual. (invited talk) [link to Grainger Institute]


[157] Neophytos Neophytou, Zhen Li, and Patrizio Graziosi, ‘Efficient ab initio-based thermoelectric transport simulations beyond the constant relaxation time approximation using the ElecTra code,’ European Conference on Thermoelectrics, ECT, Sept 1-16, 2022, Barcelona, Spain. (invited talk) [link to ECT]


[156] Pankaj Priyadarshi and Neophytos Neophytou,
Poster: ‘Highly Efficient Monte Carlo simulation method for transport in complex nanostructured thermoelectric materials,’ European Conference on Thermoelectrics, ECT, Sept 1-16, 2022, Barcelona, Spain. [link to ECT]

[155] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou,
Poster: ‘Efficient and reliable scattering rate extraction in complex band thermoelectric materials from first principles: The case of Mg3Sb2,’ European Conference on Thermoelectrics, ECT, Sept 1-16, 2022, Barcelona, Spain. [link to ECT]

[154] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, Poster: ‘Efficient and reliable scattering rate extraction of complex band thermoelectric materials in first-principles calculations,’ Psi-k conference, Lausanne, Switzerland, 22-25 July, 2022. [link to Psi-k]


[153] Neophytos Neophytou, ‘Developments in computational methods for complex bandstructure and nanostructured thermoelectric materials,’ Virtual Conference on Thermoelectrics, VCT 2022, 20th-21st July 2022, Europe chapter, Keynote talk. [link to VCT 2022]


[152] Pankaj Priyadarshi and Neophytos Neophytou, ‘A Novel Monte Carlo Ray-tracing Electron Transport Method for Nanostructured Thermoelectric Materials,’ Virtual Conference on Thermoelectrics, VCT 2022, 20th-21st July 2022, Europe chapter. [link to VCT 2022]


[151] Neophytos Neophytou, ‘Electronic transport simulation approaches for the design of thermoelectric materials,’ CECAM Flagship Workshop, Quantum Transport Methods and Algorithms: From Particles to Waves Approaches, Zurich Switzerland, 6-8 July 2022. (invited talk) [link to CECAM]


[150] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Thermoelectric power factor optimization in two-dimensional materials,’ EMRS Spring Meeting, online meeting, May 30th – June 3rd, 2022. [link to EMRS]


[149] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Thermoelectric transport and mobility calculations from first principles: An accurate and computationally effective way’, MONACOSTE Summer School: Modeling Nanomaterials for Energy Transport and Storage, Villa Clythia, Fréjus, French Riviera, France, 8th-13th May 2022. [link]


[148] Patrizio Graziosi and Neophytos Neophytou, ‘Descriptors to identify asymmetric conduction bipolar materials with ultra-high thermoelectric power factors,’ APS March Meeting 2022, 14-18 March, 2022, Chicago IL, USA (hybrid). [link to APS]


[147] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘First principles deformation potential extraction and computationally efficient mobility calculations,’ APS March Meeting 2022, 14-18 March, 2022, Chicago IL, USA (hybrid). [link to APS]


[146] Patrizio Graziosi, Zhen Li, and Neophytos Neophytou, ‘ElecTra: A Botzmann Electronic Tranport simulator for complex bandstructure thermoelectric materials,’ Italian Thermoelectric Association Meeting, Feb. 2022. [link to ITA]


 [145] Neophytos Neophytou*, Patrizio Graziosi, Zhen Li, Vassilios Vargiamidis, ‘Theory and simulation for thermoelectric transport in complex band and nanostructured materials,’ Materials Research Meeting, MRM 2021, Yokohama Japan, hybrid online meeting, December 13-15, 2021. [link to MRM] (invited talk)

[144] Neophytos Neophytou*, Patrizio Graziosi, and Zhen Li, ‘Novel and computationally efficient thermoelectric transport calculations with detailed scattering physics,’ EPSRC Thermoelectric Network UK Meeting, Virtual Meeting, 17th November, 2021. [link to UK TE Network]


[143] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Coupling of first-principles calculation and Boltzmann transport for accurate and computationally effective thermoelectric transport,’ EUROMAT 2021, Virtual, Austria, 13-17 September 2021. [pdf][link to EUROMAT2021]


[142] Neophytos Neophytou, Patrizio Graziosi, Zhen Li, Pankaj Priyadarshi, and Vassilios Vargiamidis, ‘Hierarchical Nanostructuring for High Performance Thermoelectric Materials: A Simulation Prospective,’ NANOMEET 2021, Porto, Portugal, Sept. 13-15, 2021. (invited talk). [pdf][link to NANOMEET2021]


[141] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Deformation potential extraction and transport calculations from first principles: An accurate and computationally effective way,’ 2021 Virtual School on Electron-Phonon Physics and the EPW code, Jun 14, 2021 – Jun 18, 2021. [link to talks]


[140] Pankaj Priyadarshi, Vassilios Vargiamidis, Bhaskaran Muralidharan, and Neophytos Neophytou , ‘Figure of Merit in Band Pass Thermoelectric Device,’ Virtual Conference on Thermoelectrics, VCT 2021, July 20-22, 2021, online conference. [link to VCT2021]


[139] Zhen Li, Graziosi Patrizio, and Neophytos Neophytou, ‘Deformation potential extraction and transport calculations from first principles: An accurate and computationally effective way,’ Virtual Conference on Thermoelectrics, VCT 2021, July 20-22, 2021, online conference. [link to VCT2021]


[138] Patrizio Graziosi and Neophytos Neophytou, Simulation of ballistic spin-MOSFET devices with ferromagnetic channels,’ International Workshop on Computational Nanotechnology, IWCN 2021, May 24-June 6, 2021, Korea, online conference. [link to IWCN2021]


[137] Vassilios Vargiamidis, Panagiotis Vasilopoulos, and Neophytos Neophytou  ‘Anomalous Thermoelectric Transport in biased bilayer WSe2,’ International Workshop on Computational Nanotechnology, IWCN 2021, May 24-June 6, 2021, Korea, online conference. [link to IWCN2021]


[136] Neophytos Neophytou, Patrizio Graziosi, Zhen Li, Vassilios Vargiamidis, ‘Thermoelectric properties of complex band and nanostructured materials,’ Invited talk. International Workshop on Computational Nanotechnology, IWCN 2021, May 24-June 6, 2021, Korea, online conference. [link to IWCN2021]


[135] V. Vargiamidis, P. Vasilopoulos, and N. Neophytou, ‘Berry curvature and topological Nernst effect in biased bilayer WSe2,’ 2021 Virtual MRS Spring Meeting,  Seattle, USA, April 17 – 23, 2021. [pdf][link to MRS]


[134] Zhen Li, Patrizio Graziosi, Neophytos Neophytou, ‘From deformation potential extraction to electronic transport simulations: an efficient and practical approach,’ APS March Meeting 2021, Virtual meeting, March 15-19, 2021. [link to APS]

[133] Neophytos Neophytou and Patrizio Graziosi, ‘ Descriptors for the discovery of efficient thermoelectric materials,’  APS March Meeting 2021, Virtual meeting, March 15-19, 2021. [pdf][link to APS]

[132] Patrizio Graziosi and Neophytos Neophytou, ‘Simulation method for thermoelectric transport in complex bandstructure bipolar,’  APS March Meeting 2021, Virtual meeting, March 15-19, 2021. [pdf][link to APS]

[131] Vassilios Vargiamidis, Panagiotis Vasilopoulos, and Neophytos Neophytou, ‘Tunable Berry curvature and topological Nernst effect in biased bilayer WSe2,’ APS March Meeting 2021, Virtual meeting, March 15-19, 2021. [pdf][link to APS]

[130] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou,’ From deformation potential extraction to thermoelectric transport simulations: an efficient and practical approach,’ International conference on electron-phonon coupling and thermoelectric efficiency, 11.nov – 13.nov, 2020. [pdf][link to conference]


[129] Laura de Sousa Oliveira, S. Aria Hosseini, P. Alex Greaney, Neophytos Neophytou, ‘Ultra-low thermal conductivity due to geometry dependent specular scattering in nanoporous Si,’ Virtual Conference on Thermoelectrics, 2020.[pdf]
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[128] Zhen Li, Patrizio Graziosi, and Neophytos Neophytou, ‘Deformation potentials and simulations of thermoelectric properties using first principles: The case of Mg3Sb2,’ Virtual Conference on Thermoelectrics, 2020.[pdf]
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[127] Patrizio Graziosi and Neophytos Neophytou, ‘Advanced simulations of thermoelectric coefficients using DFT bandstructures and energy dependent scattering mechanisms’ Virtual Conference on Thermoelectrics, 2020.[pdf]
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[126] P Graziosi, C Kumarasinghe, N Neophytou, ‘Simulations of thermoelectric coefficients using DFT bandstructures and energy dependent scattering rates,’ Bulletin of the American Physical Society. [link to APS]
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[125] N Neophytou, S Foster, V Vargiamidis, ‘Potential barrier/well engineering for improving the power factor in nanostructured thermoelectric materials,’Bulletin of the American Physical Society. [link to APS]
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[124] Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou, ‘Simulations of thermoelectric coefficients using DFT bandstructures and energy dependent scattering rates,’ New Horizons in Materials Modelling Workshop, York, UK, January 2020. [pdf][link to N8CIR]
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[123] Poster: Neophytos Neophytou and Vassilios Vargiamidis, ‘The Non-Equilibrium Green’s Function method for quantum transport in disordered thermoelectric nanomaterials ‘ New Horizons in Materials Modelling Workshop, York, UK, January 2020. [pdf][link to N8CIR]
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[122] Neophytos Neophytou, Vassilios Vargiamidis, Samuel Foster, Laura de Sousa Oliveira, Dhritiman Chakraborty, Chathurangi Kumarasinghe, Patrizio Graziosi, and Mischa Thesberg, ‘Advanced thermoelectric transport simulations in complex bandstructure and nanostructured materials,’ 17th European Conference on Thermoelectrics, ECT, Limassol, Cyprus, 2019 (invited talk).[pdf]
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[121] Patrizio Graziosi, Chathurangi Kumarasinghe, Neophytos Neophytou, ‘Numerical extraction of TE coefficients of complex bandstructure materials with full energy/momentum scattering dependences – the example of half-Heusler alloys,’ 17th European Conference on Thermoelectrics, ECT, Limassol, Cyprus, 2019.[pdf]
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[120] Vassilios Vargiamidis, Mischa Thesberg, and Neophytos Neophytou, ‘A theoretical model for the Seebeck coefficient in superlattices and nanocomposite materials with partial energy relaxation,’ 17th European Conference on Thermoelectrics, ECT, Limassol, Cyprus, 2019.[pdf]
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[119] Laura de Sousa Oliveira, Vassilios Vargiamidis, Neophytos Neophytou, ‘Thermal transport in disordered nanoporous Si geometries from large-scale molecular dynamics,’ 17th European Conference on Thermoelectrics, ECT, Limassol, Cyprus, 2019.[pdf]
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[118] Panagiotis Mangelis, Fei Tong, Elisabetta Dimaggio, Neophytos Neophytou, Dario Narducci, Giovanni Pennelli,
Poster: ‘Design and fabrication of Si-based multi-barrier structures using non-uniform doping distribution,’ 17th European Conference on Thermoelectrics, ECT, Limassol, Cyprus, 2019.[pdf]
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[117] Dhritiman Chakraborty*, H. Karamitaheri, Neophytos Neophytou, ‘Phonon transport in hierarchically disordered silicon nanostructures: Monte Carlo to wave-informed Monte Carlo using multi-physics.’, International School of Physics ‘Enrico Fermi’, Varenna, Italy, July 2019. [pdf][link to Enrico Fermi School]
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[116] Laura de Sousa Oliveira*, Dhritiman Chakraborty, Vassilios Vargiamidis, Neophytos Neophytou, ‘The effect of geometry on thermal transport in nanoporous Si from large-scale MD’, International School of Physics ‘Enrico Fermi’, Varenna, Italy, July 2019. [pdf][link to Enrico Fermi School]
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[115] Neophytos Neophytou, ‘Computational Design of Thermoelectrics,’ International School of Physics ‘Enrico Fermi’, Varenna, Italy, July 2019. (invited lectures) [pdf][link to Enrico Fermi School]
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[114] Neophytos Neophytou*, Laura de Sousa Oliveira, Samuel Foster, and Vassilios Vargiamidis,’Quantum transport simulations in hierarchical nanostructured materials for improved thermoelectric power factors’, International Conference on Thermoelectrics, ICT 2019, Gyeongju, South Korea, July 2019. [pdf][link to ICT]
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[113] Chathurangi Kumarasinghe, Patrizio Graziosi, Neophytos Neophytou*, ‘Improving the power factor of half-Heuslers through band convergence’, International Conference on Thermoelectrics, ICT 2019, Gyeongju, South Korea, July 2019. [pdf][link to ICT]
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[112] Vassilios Vargiamidis*, Laura de Sousa Oliveira, Samuel Foster, and Neophytos Neophytou, ‘Quantum transport simulations in hierarchically disordered nanostructures for high thermoelectric power factors,’ E-MRS Spring Meeting, Nice, France, May 27-31, 2019. [pdf][link to EMRS]
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[111] Patrizio Graziosi, Chathurangi Kumarasinghe, and Neophytos Neophytou, “Thermoelectric properties of complex bandstructure materials by coupling DFT to Boltzmann transport equation including all energy dependences”, International Workshop of Computational Nanotechnology – Evanston, Illinois, 23th May 2019. [pdf][link to IWCN]
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[110] Dhritiman Chakraborty, Samuel Foster, Neophytos Neophytou
Poster: ‘Analytical models for thermal conductivity in highly disordered nanostructures’ UK Thermoelectric Network Meeting, Kings College London, UK, May 2019. [pdf][link to UK TE Network]
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[109] Samuel Foster and Neophytos Neophytou, ‘Nanostructuring for reducing the bipolar effect’, UK Thermoelectric Network Meeting, London, UK, May 2019. [pdf][link to UK TE Network]
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[108] Chathurangi Kumarasinghe, and Neophytos Neophytou, ‘Co-based half heuslers for thermoelectric applications’, UK Thermoelectric Network Meeting ,King’s College, London, UK, 2019. [link to UK TE Network]
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[107] Laura de Sousa Oliveira, and Neophytos Neophytou, ‘Configurational effects on thermal transport in nanoporous Si from large-scale molecular dynamics’, UK Thermoelectric Network Meeting, King’s College London, May 2019. [link to UK TE Network]
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[106] Patrizio Graziosi, Chathurangi Kumarasinghe, and Neophytos Neophytou, ‘Impact of scattering mechanism details on the thermoelectric power factor of complex materials’,MRS Spring Meeting, Arizona, USA, April 2019. [pdf][link to MRS]
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[105] Dhritiman Chakraborty*, Laura de Sousa Oliveira, Samuel Foster, and Neophytos Neophytou
Poster: ‘Phonon Transport in hierarchicaly disordered nanostructures: Monte Carlo simulations to analytical models’, IET Midlands Power Group Annual Prize Award Evening, 27th March, 2019, University of Birmingham, Birmingham. (Exceptional poster presentation award certificate).
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[104] Neophytos Neophytou, Laura de Sousa Oliveira, and Vassilios Vargiamidis,
‘Hierarchical design of nanomaterials for improving the power factor’, American Physical Society, APS 2019, March 4-8, Boston, USA. [pdf][link to APS]
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[103] Patrizio Graziosi, Chathurangi Kumarasinghe, and Neophytos Neophytou, ‘Impact of scattering mechanism details on the thermoelectric power factor of
complex materials’, Meeting of the Italian Thermoelectric Society, Bologna, Italy, 2019. [pdf][link to GiTe]
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[102] Dhritiman Chakraborty*, Laura de Sousa Oliveira, H. Karamitaheri, and Neophytos Neophytou
Poster: ‘Phonon transport simulations in nanostructured silicon: Merging information from Monte Carlo, NEGF and MD’, Nanoscale and Microscale Heat Transfer VI, Eurotherm seminar No. 111, 2 – 7 December, 2018, Levi, Lapland, Finland. [link to EUROTHERM 2018]
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[101] Laura de Sousa Oliveira, Dhritiman Chakraborty, and Neophytos Neophytou “Molecular dynamics simulations in disordered nanoporous materials”, CNRS Groupement de Recherche Européen, October 11th–12th 2018, Lyon, France. [pdf][link to GDRE]
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[100] Laura de Sousa Oliveira, Dhritiman Chakraborty, Vassilios Vargiamidis, Samuel Foster, and Neophytos Neophytou “Transport simulations in hierarchically disordered nanostructures for thermoelectric materials design”, IEEE Nanotechnology Materials and Devices Conference, October 15th–17th 2018, Portland, Oregon, USA. [pdf][link to IEEE NMDC][arXiv]
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[99] Neophytos Neophytou, ‘Advanced simulation techniques for hierarchically disordered nanostructured thermoelectric materials,’ XXXIII Panhellenic Conference on Solid State Physcis and Materials, Sept. 17th-19th 2018, Nicosia, Cyprus. (invited talk) [pdf][link to XXXIII Materials 2018]
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[98] Chathurangi Kumarasinghe and Neophytos Neophytou, ‘Bandstructure engineering in Co-based Half-Heuslers for high thermoelectric power factors,’ European Materials Research Symposium, E-MRS Fall Meeting, Sept.17th-20th, Warsaw, Poland. (invited talk) [pdf][link to EMRS]
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[97] Chathuranghi Kumarasinghe and Neophytos Neophytou
Poster: ‘Co-based half heuslers for thermoelectric applications’, CCP9 Young Researcher Meeting, 17-18 July 2018, Park Inn Hotel, York, United Kingdom. [link to CCP9]
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[96] N. Neophytou*, S. Foster, V. Vargiamidis, D. Chakraborty, L. Oliveira, C. Kumarasinghe, and M. Thesberg, ‘Simulation studies of nanostructured thermoelectric materials,’ IEEE NANO 2018, Cork, Ireland, July 24-26, 2018 (invited talk). [pdf][link to IEEE NANO]
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[95] Samuel Foster and Neophytos Neophytou
Poster: ‘Quantum transport simulations for the thermoelectric properties of bipolar materials’, International and European Conference on Thermoelectrics, ICT/ECT, 1-5 July 2018, Caen, France. [pdf][link to ICT/ECT]
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[94] Dhritiman Chakraborty*, Laura de Sousa Oliveira, Samuel Foster, and Neophytos Neophytou
Poster: ‘Phonon Transport in hierarchicaly disordered nanostructures: From Monte Carlo simulations to simple analytical models’, 37th International Conference on Thermoelectrics and 16th European Conference on Thermoelectrics, 2nd July, 2018, Caen, France. [pdf][link to ICT/ECT]
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[93] Laura de Sousa Oliveira*, Dhritiman Chakraborty, and Neophytos Neophytou, ’Molecular dynamics simulations to understand phonon transport in nanoporous materials’, International Conference on Thermoelectrics / European Conference on Thermoelectrics, ICT/ECT 2018, Caen, France, July, 2018. [pdf][link to ICT/ECT]
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[92] Vassilios Vargiamidis, Samuel Foster, and Neophytos Neophytou,
‘Quantum transport simulations of thermoelectric power factor in materials with hierarchical nanostructuring,’ International Conference on Thermoelectrics / European Conference on Thermoelectrics, ICT/ECT 2018, Caen, France, July, 2018. [pdf][link to ICT/ECT]
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[91] Neophytos Neophytou, Dhritiman Chakraborty, Laura de Sousa Oliveira
‘Phonon transport simulations in large scale hierarchically disordered nanostructures’, EMRS Spring Meeting, Strasbourg, France, June 18-22, 2018. [pdf][link to EMRS]
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[90] Patrizio Graziosi and Neophytos Neophytou
Poster: ‘Simulation study of ballistic spin-MOSFET devices with ferromagnetic channels based on Heusler and oxide compounds’
Magnetism 2018, 9-10 April 2018, Manchester, UK. [pdf][link to Magnetism]
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[89] Laura de Sousa Oliveira*, Dhritiman Chakraborty, Chathurangi Kumarasinghe, Samuel Foster, Vassilios Vargiamidis, and Neophytos Neophytou
Poster: ‘Phonon and electronic transport in nanostructures and complex materials’, School on Electron-Phonon Physics from First Principles, 20th March, 2018, ICTP, Trieste, Italy. [pdf][link to ICTP]
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[88] Dhritiman Chakraborty*, Samuel Foster, Laura de Sousa Oliveira, Neophytos Neophytou
Poster: ‘Phonon transport in hierarchically disordered silicon nanostructures’, IET Midlands Power Group Annual Prize Award Evening, 7th March, 2018, Aston University, Birmingham. (Exceptional poster presentation certificate)
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[87] Neophytos Neophytou, Samuel Foster, Vassileios Vargiamidis, Mischa Thesberg
‘Electronic transport simulations in materials with embedded nano-inclusions for enhanced thermoelectric power factors’, American Physical Society, APS 2018, Los Angeles, USA. [link to APS]
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[86] Dhritiman Chakraborty, Samuel Foster, Laura Oliveira, Neophytos Neophytou
Poster: ‘Phonon transport in hierarchically disordered silicon nanostructures,’ UK Thermoelectric Network Meeting, Edinburgh, UK, February 2018. (Best poster award) [pdf]
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[85] Samuel Foster, Mischa Thesberg, Vassileios Vargiamidis, and Neophytos Neophytou,
Poster: ‘Electronic transport simulations for advanced thermoelectric materials,’ UK Thermoelectric Network Meeting, Edinburgh, UK, February 2018. [pdf]
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[84] Neophytos Neophytou, ‘Advanced quantum transport simulations for the design of nanostructured thermoelectric materials.’ UK Thermoelectric Network Meeting, Edinburgh, UK, February 2018. [pdf]
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[83] Neophytos Neophytou, ‘Electronic transport simulations in nanostructured materials with the Non-Equilibrium Green’s Function method,’ India-UK Workshop on Thermoelectric Materials for Waste-Heat Harvesting, Jawaharlal Nehru Centre for Advanced Scientific Research (JNCAASR), Bangalore, India, 8-10th January, 2018.
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[82] Samuel Foster, Mischa Thesberg, and Neophytos Neophytou, ‘Fully quantum mechanical transport simulations for the calculation of the thermoelectric power factor in nanocomposite materials’, European Conference on Thermoelectrics, ECT, Padova, Italy, September 2017. [pdf][link to Materials Today: Proceedings][arXiv]
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[81] Dhritiman Chakraborty, Samuel Foster, Neophytos Neophytou, ‘ Multi-Scale Phonon Transport Monte Carlo Simulations in Hierarchically Disordered Nanomaterials,’ European Conference on Thermoelectrics, ECT, Padova, Italy, September 2017. [pdf][link to Materials Today: Proceedings][arXiv]
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[80] Neophytos Neophytou*, Mischa Thesberg, ‘Electronic transport simulations in nanostructured materials for large thermoelectric power factors’,  EUROMAT 2017, Sept 18-22, Thessaloniki, Greece (invited). [pdf][link to EUROMAT]
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[79] Neophytos Neophytou*, ‘Advanced quantum transport simulations for the design of nanostructured thermoelectric materials,’IUMRS-ICAM2017, Kyoto, Japan, 28th Aug.-1st Sept., 2017 (invited). [pdf][link to iumrs]
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[78] Neophytos Neophytou*, Samuel Foster, Mischa Thesberg, Hans Kosina, ‘Electronic transport simulations in nanocomposites – exploring the features that optimize the thermoelectric power factor’,E-MRS, Strasburg, France, May 2017, (invited). [link to E-MRS]
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[77] N. Neophytou* and M. Thesberg, “Electronic transport simulations in nano-crystalline materials for enhanced thermoelectric power factors”, APS March Meeting, March 13-17, 2017, New Orleans, USA. [link to APS]
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[76] S. Foster*, D. Chakraborty, M. Thesberg, H. Kosina, N. Neophytou, ”Monte Carlo simulations for extracting the power factor in 1D systems”, EPRSC Thermoelectric Network Meeting, Manchester UK, Feb. 14-15, 2017 [link]
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[75] Neophytos Neophytou* and Hossein Karamitaheri, ‘Phonon transport studies in ultra-narrow graphene nanoribbons: Understanding features of heat flow in 1D’, Quantum Science Symposium Europe Meeting, Cambridge, UK, November 1-2, 2016 (invited). [pdf][link to QSS Europe 2016]
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[74] Neophytos Neophytou* and Hossein Karamitaheri, ‘Phonon transport effects in disordered graphene nanoribbons,’ Nanoscale and Mocroscale Heat Transfer V, EUROTHERM Seminar No 108, Santorini, Greece, September 26-30, 2016. [pdf][link to EUROTHERM]
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[73] N. Neophytou*, M. Thesberg, and H. Kosina, ‘Examining the effectiveness of energy-filtering in 1D vs. 2D structures using quantum mechanical transport simulations,’ ECT 2016, Lisbon, Portugal, 20-23 September 2016. [pdf][link to ECT 2016]
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[72] M. Thesberg, N. Neophytou, and H. Kosina, ‘Calculating the power factor of nano-composite materials from fully quantum-mechanical large-scale simulations,’ ECT 2016, Lisbon, Portugal, 20-23 September 2016. [pdf][link to ECT 2016]
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[71] Neophytos Neophytou, “Theory and simulation for improving thermoelectric performance of nanoscale materials”
Fifth International Symposium on Energy Challenges and Mechanics (ECM5) – working on small scales
July 10-15, 2016, Inverness, Scotland (invited). [pdf][link to ECM5]
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[70] Mischa Thesberg*, N. Neophytou, M. Pourfath, and H. Kosina, ‘Power Factor Degradation Mechanisms in Energy-Filtering Thermoelectric Materials’
Energy Materials Nanotechnology (EMN) Meeting on Thermoelectric Materials, Orlando Florida, USA, February, 2016 (invited). [pdf][link to EMN]
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[69] M. Thesberg, M. Pourfath, N. Neophytou, and H. Kosina: “Full Quantum Mechanical Electronic Transport Simulations in Si Quantum Wells and Superlattices for Thermoelectric Applications,” EUROSOI-ULIS, 25-27 January 2016, Vienna, Austria. [pdf][link to EUROSOI-ULIS]
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[68] N. Neophytou*, “Thermoelectric properties of gated Si nanowires”, Nanowires Workshop, Barcelona, October 2015. [pdf][link to NWS]
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[67] Neophytos Neophytou, “Modelling electronic transport in 1D Si nanowires and 2D ultra-thin layers”, Recent Appointees in Materials Science, RAMS 2015, University of Warwick, UK, September 16-17, 2015.
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[66] M. Thesberg*, M. Pourfath, N. Neophytou and H. Kosina. Poster: “Thermoelectric power factor optimization in nanocomposites by energy filtering using NEGF,” 18th International Workshop on Computational Electronics (IWCE 2015), September 2, 2015, Purdue University, W. Lafayette, IN, USA. [pdf][link to IWCE 2015]
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[65] Neophytos Neophytou, ‘Phonon transport simulations in low-dimensional, disordered graphene nanoribbons’, 15th INTERNATIONAL CONFERENCE ON NANOTECHNOLOGY (IEEE NANO), 27 – 30 JULY 2015, ROME (ITALY) (invited). [pdf][link to IEEE]
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[64] Mischa Thesberg*, Mahdi Pourfath, Neophytos Neophytou and Hans Kosina,’Optimization of energy filtering for power factor improvements through fully quantum mechanical transport simulations’, International Conference on Thermoelectrics / European Conference on Thermoelectrics, ICT/ECT 2015, Dresden, Germany, June-July, 2015. [pdf][link to ICT]
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[63] M. Thesberg*, M. Pourfath, N. Neophytou, H. Kosina, “Thermoelectric Efficiency Improvements through Grain Shape Optimization: A Non-Equilibrium Green’s Function Study”, 10th International Conference on Large-Scale Scientific Computations, Sozopol, Bulgaria, June 2015. [pdf]
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[62] M. Thesberg*, M. Pourfath, N. Neophytou, and H. Kosina, “Optimization of thermoelectric properties in cross-plane superlattices – A 1D NEGF Study”, American Physical Society (APS), March Meeting, San Antonio, TX, USA, 2015. [link to APS] ___________________________________________________________________________________________ [61] N. Neophytou*, M. Thesberg, M. Pourfath, and H. Kosina, “Calculations of the thermopower in materials with nano-inclusions using quantum mechanical simulations”, American Physical Society (APS), March Meeting, San Antonio, TX, USA, 2015. [link to APS] ___________________________________________________________________________________________ [60] Xanthippi Zianni*, Neophytos Neophytou, Dario Narducci, “Parametric modeling of energy filtering as an experimentalist’s guideline to enhance thermoelectric power factor”, 12th European Conference on Thermoelectricity (ECT2014), Madrid, SPAIN. September 24 – 26, 2014. [link to ECT][link to Materials Today, Elsevier] ___________________________________________________________________________________________ [59] Neophytos Neophytou* and Hans Kosina, “Field Effect Density Modulation in Nanowires for Large Thermoelectric Power Factors: A Self-Consistent Atomistic Simulation Approach”, International Conference on Thermoelectrics, ICT 2014, Nashville, USA, July 2014. [link to ICT] ___________________________________________________________________________________________ [58] N. Neophytou*, H. Karamitaheri, and H. Kosina, “Full-Band Simulations of Thermoelectric Properties of Si Nanowires and Thin Layers,” 18th European Conference on Mathematics for Industry, ECMI, June 9-14, 2014, Taormina, Italy (invited). [pdf][link to ECMI] ___________________________________________________________________________________________ [57] N. Neophytou and H. Kosina. Poster: “Thermoelectric properties of gated Si nanowires,” 17th International Workshop on Computational Electronics (IWCE 2014) June 3-6, 2014, Paris, France. [pdf][link to IWCE] ___________________________________________________________________________________________ [56] D. Osintsev, V. Sverdlov, N. Neophytou, S. Selberherr, “Valley Splitting and Spin Lifetime Enhancement in Ultra-Scaled MOSFETs”, Page: 59 – 60, ISBN: 978-2-9547858-0-6, 17th International Workshop on Computational Electronics (IWCE 2014) June 3-6, 2014, Paris, France. [link to IWCE] ___________________________________________________________________________________________ [55] D. Osintsev, V. Sverdlov, N. Neophytou, S. Selberherr, “Valley Splitting and Spin Lifetime Enhancement in Strained Silicon Heterostructures”, 18th International Winterschool on New Developments in Solid State Physics, Mauterndorf, Austria, 23-28 February, 2014. [pdf] ___________________________________________________________________________________________ [54] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Properties of Gated Silicon Nanowires”, American Physical Society (APS), March Meeting, Denver, CO, USA, 2014. [pdf][link to APS] ___________________________________________________________________________________________ [53] D. Narducci*, B. Lorenzi, R. Tonini, S. Frabboni, G.C. Gazzadi, G. Ottaviani, N. Neophytou, X. Zianni, “Paradoxical Enhancement of the Power Factor in Polycrystalline Silicon Due to the Formation of Nanovoids,” European Conference on Thermoelectrics, ECT, Noordwijk, The Netherlands, November 2013. [link to ECT] ___________________________________________________________________________________________ [52] S. Wolf*, N. Neophytou, Z. Stanojevic, H. Kosina, “Monte Carlo Simulations Of Thermal Conductivity Nanoporous Si Membranes,” European Conference on Thermoelectrics, ECT, Noordwijk, The Netherlands, November 2013. [pdf][link to ECT] ___________________________________________________________________________________________ [51] N. Neophytou, Z. Stanojevic*, H. Kosina. Poster: “Low-Field Mobility of Ultra-Narrow Si Nanowire MOSFETs Using Self-Consistent Full-Band Simulations,” Fifth International Conference on One Dimensional Nanomaterials, ICON, Sept. 23-26, 2013, France. [pdf][link to ICON] ___________________________________________________________________________________________ [50] Neophytos Neophytou, Zlatan Stanojevic*, and Hans Kosina, “Full Band Calculations of Low-field Mobility in p-type Silicon Nanowire MOSFETs,” IEEE SISPAD, Glasgow, U.K., Sept. 3 – 5, 2013. (Best paper award)[pdf][link to SISPAD] ___________________________________________________________________________________________ [49] N. Neophytou, H. Karamitaheri*, and H. Kosina, “Low Dimensional Semiconductor Thermoelectric Materials: Design Approaches from Atomistic Calculations for Electrons and Phonons”, International Conference on Thermoelectrics, ICT, Kobe, Japan, July 2013. [pdf][link to ICT 2013] ___________________________________________________________________________________________ [48] X.Zianni*, N.Neophytou, B. Lorenzi, S. Frabboni, and D. Narducci, “Modeling power factor enhancement by inhomogeneous distribution of impurities in two-phase Si-B nanocrystalline systems”, International Conference on Thermoelectrics, ICT, Kobe, Japan, July 2013. [pdf][link to ICT 2013] ___________________________________________________________________________________________ [47] H. Karamitaheri*, Neophytos Neophytou, and Hans Kosina, “Thermal Conductivity of Si Nanowires and Ultra Thin-Layers Using Atomistic Phonon Dispersions”, International Conference on Thermoelectrics, ICT, Kobe, Japan, July 2013. [pdf][link to ICT 2013] ___________________________________________________________________________________________ [46] H. Karamitaheri*, N. Neophytou, H. Kosina, “Thermal Conductivity of Si Nanowires Using Atomistic Phonon Dispersions”; International Workshop on Computational Electronics (IWCE), Nara, Japan; 2013-06-04 – 2013-06-07. [pdf][link to IWCE] ___________________________________________________________________________________________ [45] Dario Narducci*, Xanthippi Zianni, Neophytos Neophytou, and Stefano Frabboni, “Enhancement of the Power Factor in Two-Phase Silicon-Boron Nanocrystalline Alloys” E-MRS Spring Meeting, 2013, May 27-31, Strasbourg, France. [link to E-MRS] ___________________________________________________________________________________________ [44] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Power Factor Engineering of Low-Dimensional and Nanocomposite Si Nanostructures” American Physical Society (APS), March Meeting, Baltimore, MD, USA, 2013. [link to APS] ___________________________________________________________________________________________ [43] Neophytos Neophytou* and Hans Kosina, “Low dimensional nanostructures as efficient thermoelectric materials for energy conversion and generation” Nanoscience and Nanotechnology, Nano S & T, Qingdao, China, October 26-28, 2012 (Invited). [pdf][link to Nano S & T] ___________________________________________________________________________________________ [42] Neophytos Neophytou* and Hans Kosina, “Atomistic simulations of the electronic properties of Si and Ge nanowires and thin-layers: Bandstructure effects” Nanoscience and Nanotechnology, Nano S & T, Qingdao, China, October 26-28, 2012 (Invited). [pdf][link to Nano S & T] ___________________________________________________________________________________________ [41] Neophytos Neophytou,  “Low dimensional Si nanostructures for efficient thermoelectric energy conversion and generation,” 2nd Workshop on Nanostructured Materials & Devices, NANOMED, University of Cyprus, October, 2012 (Invited). ___________________________________________________________________________________________ [40] H. Karamitaheri*, M. Pourfath, N. Neophytou, and H. Kosina, “Theoretical Study of a Zigzag Graphene Nanoribbon Field Effect Transistor”, Pacific Rim Meeting on Electrochemical and Solid State Science (PRIME 2012), Honolulu, HI, USA, October 7-12, 2012. [pdf][link to ECS] ___________________________________________________________________________________________ [39] Neophytos Neophytou* and Hans Kosina, “Engineering the Thermoelectric Power Factor of Si and Ge Ultra Narrow 1D Nanowires and 2D Thin Layers Using Atomistic Modeling”, International Conference on Thermoelectrics, ICT, Aalborg, Denmark, July 2012. [pdf][link to ICT 2012] ___________________________________________________________________________________________ [38] X.Zianni*, N.Neophytou, M. Ferri, A. Roncaglia, G.F. Cerofolini, and D. Narducci, “Nanograin effects on the thermoelectric properties of poly-Si nanowires”, International Conference on Thermoelectrics, ICT, Aalborg, Denmark, July 2012. [pdf][link to ICT 2012] ___________________________________________________________________________________________ [37] H. Karamitaheri*, Neophytos Neophytou, and Hans Kosina. Poster: “Calculations of confined phonon spectrum in narrow Si nanowires using the valence force field method”, International Conference on Thermoelectrics, ICT,  Aalborg, Denmark, July 2012. [pdf][link to ICT 2012] ___________________________________________________________________________________________ [36] Neophytos Neophytou*, H. Karamitaheri, and Hans Kosina, “Atomistic Design of Ultra-Narrow Silicon Nanowires for Improved Electronic and Thermoelectric Applications”, 9th Int. Conference on Nanosciences and Nanotechnologies (NN12), Thessaloniki, Greece, July 2012. [pdf][link to NN12] ___________________________________________________________________________________________ [35] H. Karamitaheri*, N. Neophytou, M. Pourfath, and H. Kosina, “Engineering the Thermoelectric Power Factor of Metallic Graphene Nanoribbons”, International Workshop on Computational Electronics, IWCE-15, Wisconsin, Madison, USA, May 2012. [pdf][link to IWCE] ___________________________________________________________________________________________ [34] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Power Factor of Ultra-Narrow Silicon Nanowires”, International Workshop on Computational Electronics, IWCE-15, Wisconsin, Madison, USA, May 2012 (Invited). [pdf][link to IWCE] ___________________________________________________________________________________________ [33] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Properties of Low-Dimensional Si and Ge Based Nanostructures”, American Physical Society (APS), March Meeting, Boston, MA, USA, 2012. [link to APS] ___________________________________________________________________________________________ [32] Neophytos Neophytou* and Hans Kosina, “Gate Field Induced Bandstructure and Mobility Variations in p-type Silicon Nanowires” Workshop on Silicon on Insulator Technology, Devices and Circuits, EUROSOI 2012, Montpellier, France, January 2012. [link to EUROSOI] ___________________________________________________________________________________________ [31] H. Karamitaheri*, M. Pourfath, N. Neophytou, M. Pazoki, and H. Kosina, “First principle study of ballistic thermal conductance of graphene antidot lattices for thermoelectric applications” Workshop on Carbon-based low-dimensional Materials, CARBOMAT 2011, Catania, Italy. [pdf][link to CARBOMAT] ___________________________________________________________________________________________ [30]Neophytos Neophytou* and Hans Kosina, “Thermoelectric Power Factor of Low Dimensional Silicon Nanostructures”, European Conference on Thermoelectrics, ECT, Thessaloniki, Greece, September 2011. [pdf][link to ECT 2011][link to AIP] ___________________________________________________________________________________________ [29] Neophytos Neophytou* and Hans Kosina, “Strong Anisotropy and Diameter Effects on the Low-Field Mobility of Silicon Nanowires”, IEEE SISPAD, Osaka, Japan, Sept. 8 – 10, 2011. [pdf][link to SISPAD] ___________________________________________________________________________________________ [28] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Power Factor of Narrow Silicon Nanowires from Atomistic Considerations”, International Conference on Thermoelectrics, ICT, Traverse City, Michigan, USA, July, 2011. [link to ICT 2011] ___________________________________________________________________________________________ [27] Neophytos Neophytou* and Hans Kosina, “Atomistic simulations of electronic and thermoelectric transport in Si nanowires: Influence of confinement and orientation”, Nanowires 2011, NW11, Plomari, Lesvos, Greece, June 2011. [link to NW11] ___________________________________________________________________________________________ [26] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Properties of Ultra Narrow Silicon Nanowires from Atomistic Calculations”, American Physical Society (APS), March Meeting, Dallas, TX, USA, 2011. [link to APS] ___________________________________________________________________________________________ [25] Neophytos Neophytou* and Hans Kosina, “Confinement Induced Mobility Increase in p-type [110] and [111] Silicon Nanowires”, Workshop on Silicon on Insulator Technology, Devices and Circuits, EUROSOI 2011, Grananda, Spain, January 2011. [pdf][link to EUROSOI] ___________________________________________________________________________________________ [24] Neophytos Neophytou*, Gerhard Klimeck, and Hans Kosina. Poster: “A comprehensive atomistic analysis of bandstructure velocities in Si nanowires”, International Workshop on Computational Electronics, IWCE-14, Pisa, Italy, October 2010. [pdf][link to IEEE] ___________________________________________________________________________________________ [23] Neophytos Neophytou*, Martin Wagner, and Hans Kosina, “Atomistic analysis of thermoelectric properties of silicon nanowires”, European Conference on Thermoelectrics, ECT, Como, Italy, September 2010. [pdf] ___________________________________________________________________________________________ [22] Neophytos Neophytou* and Hans Kosina, “Thermoelectric Properties of Scaled Silicon Nanowires Using the sp3d5s*-SO Atomistic Tight-Binding Model and Boltzmann Transport”, International Conference on Thermoelectrics, ICT, Shanghai, China, May-June, 2010. ___________________________________________________________________________________________ [21] Neophytos Neophytou* and Hans Kosina, “Atomistic Analysis of Thermoelectric Properties of Ultra Narrow Nanowires”, American Physical Society (APS), March Meeting, Portland, OR, USA, 2010. ___________________________________________________________________________________________ [20] Neophytos Neophytou* and Hans Kosina. Poster: “Extracting thermoelectric properties of nanostructures using the atomistic sp3d5s*-SO tight-binding model”, WE-Heraeus-Workshop in: “Nanostructured Thermoelectric Materials“, Bad Honnef, Germany, February 2010. [pdf] ___________________________________________________________________________________________ [19] Neophytos Neophytou*, Gerhard Klimeck, Hans Kosina, and Siegfried Selberherr, “Diameter, orientation, and bias dependence of injection velocity and capacitance in Si nanowires: An atomistic tight-binding study”, IEEE SISPAD, San Diego, Sept. 9 – 11, 2009. [pdf] ___________________________________________________________________________________________ [18] Neophytos Neophytou*, Martin Wagner, Hans Kosina, and Siegfried Selberherr, “Analysis of thermoelectric properties of scaled silicon nanostructures using an atomistic tight-binding model”, International Conference on Thermoelectrics, ICT, ECT, Freiburg, Germany, July 2009. ___________________________________________________________________________________________ [17] Neophytos Neophytou*, Hans Kosina, and Titash Rakshit. Poster: “Quantum Transport Simulations of InGaAs HEMTs: Influence of Mass Variations on the Device Performance”, International Workshop on Computational Electronics, IWCE-13, Beijing, China, May 2009. [pdf][link to IWCE] ___________________________________________________________________________________________ [16] Mathieu Luisier*, Neophytos Neophytou, Neerav Kharche, and Gerhard Klimeck, “Full band and atomistic simulation of realistic 40nm InAs HEMT”, Proc. Int. Electr. Dev. Meet., IEDM, pp. 887-890, 2008. [link to IEEE] ___________________________________________________________________________________________ [15] Neophytos Neophytou*, Abhijeet Paul, Gerhard Klimeck, and Hans Kosina, “Bandstructure effects in Si nanowire electron and hole transport”, European Science Foundation, ESF, FONE Meeting, Palermo, Italy, December 2008. ___________________________________________________________________________________________ [14] Abhijeet Paul*, Neophytos Neophytou, Gerhard Klimeck, “Silicon Nanowire Electrostatics using Self Consistent Dispersion Calculation” TECHCON 2008, Austin, TX, September 15 – 16, 2008.
___________________________________________________________________________________________ [13] Gerhard Klimeck*, Mathieu Luisier, Saumitra Mehrota, Xufeng Wang, SungGeun Kim, Neophytos Neophytou, Abhijeet Paul, Ben Haley, “Nanowire Simulations from atomistic tool development to deployed tools on nanoHUB.org” 3rd nanowire growth workshop, Duisburg, Germany, Sept. 14-16, 2008.
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[12] Neophytos Neophytou*, Abhijeet Paul, Mark Lundstrom and Gerhard Klimeck, “Atomistic Treatment of Electronic Transport: The Effect of Bandstructure”, American Physical Society (APS), March Meeting, New Orleans, 2008. ___________________________________________________________________________________________ [11] Neophytos Neophytou*, Abhijeet Paul, Mark Lundstrom, Gerhard Klimeck, “Atomistic Treatment of Electronic Transport: The Effect of Bandstructure”, Physics-Based Mathematical Models of Low-Dimensional Semiconductor Nanostructures: Analysis and Computation, Banff, Canada, Banff International Research Station (BIRS), Nov. 18-23, 2007. [link to BIRS] ___________________________________________________________________________________________ [10] Gengchiau Liang, Neophytos Neophytou, Mark S. Lundstrom, and Dmitri Nikonov*, “Theoretical Study of Graphene Nanoribbon Field-Effect Transistors”, Proceedings NSTI Nanotech, Santa Clara, May 20–24, 2007: pp 127–130. [pdf] ___________________________________________________________________________________________ [9] Neophytos Neophytou*, Gengchiau Liang, Mark Lundstrom and Dmitri Nikonov, “Computational Study of Double-Gate Graphene Nano-Ribbon Transistors”, International Workshop on Computational Electronics, IWCE-12, Amherst, Massachusetts, 2007. [link to IWCE] ___________________________________________________________________________________________ [8] Neophytos Neophytou*, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck. Poster: “Simulations of nanowire transistors: Atomistic vs. effective mass models”, International Workshop on Computational Electronics, IWCE-12, Amherst, Massachusetts, 2007. [link to IWCE] ___________________________________________________________________________________________ [7] Neophytos Neophytou*, Abhijeet Paul, Mark S. Lundstrom, and Gerhard Klimeck, “Self-consistent simulations of nanowire transistors using atomistic basis sets”, Proc. of SISPAD, 978-3-211-72860-4, pp. 217-220, 2007. [pdf][link to Springer] ___________________________________________________________________________________________ [6] Neophytos Neophytou*, Abhijeet Paul, Mark Lundstrom and Gerhard Klimeck, “Self-consistent simulations of nanowire transistors using atomistic basis sets”, TECHCON, Austin, TX, 2007. ___________________________________________________________________________________________ [5] Gerhard Klimeck*, Shaikh Ahmed, Clemens Heitzinger, Neerav Kharche, Muhammad Usman, Mathieu Luisier, Raseong Kim, Neophytos Neophytou, Michael McLennan, Timothy B. Boykin, “Quantum Dot, Nanowire, ad Bandstructure Modeling and Deployment on nanoHUB.org”, International Topical Workshop “Tera- and Nano-Devices: Physics and Modeling”, University of Aizu, Aizu-Wakamatsu, Japan in October 16-19, 2006 (Invited). ___________________________________________________________________________________________ [4] Shaikh Ahmed*, M. P. Anantram, Neophytos Neophytou, Marek Korkusinski, Gerhard Klimeck, “Quantum Simulations of Electronic Structure and Transport Properties in Conventional and Novel Nanoscale Devices”, 7th World Congress on Computational Mechanics, Minisymposium on Transport and Coupled Processes in Micro- and Nanotechnology Los Angeles, July 16-22, 2006. ___________________________________________________________________________________________ [3] Neophytos Neophytou*, Shaikh Ahmed and Gerhard Klimeck, “Simulation of Metallic Nanotubes Including Vacancy Defects”, International Workshop on Computational Electronics, IWCE-11, Vienna, Austria, 2006. ___________________________________________________________________________________________ [2] Neophytos Neophytou*, Shaikh Ahmed, Diego Kienle, Mark Lundstrom and Gerhard Klimeck, “Non-Equilibrium Green’s Function Simulation of the Impact of Atomic Defects on the Performance of Carbon Nanotube Transistors”, American Physical Society (APS), March Meeting, Baltimore, 2006. ___________________________________________________________________________________________ [1] Neophytos Neophytou*, Jing Wang, Anisur Rahman, Avik Ghosh, Gerhard Klimeck and Mark Lundstrom, “Full Band Simulation of Silicon Nanowire Transistors”, TECHCON, Portland, OR, 2005. ___________________________________________________________________________________________ * Presenter