| Lattice dynamics of anharmonic solids from first principles O Hellman, IA Abrikosov, SI Simak Physical Review B 84 (18), 180301, 2011 | 623 | 2011 |
| Temperature dependent effective potential method for accurate free energy calculations of solids O Hellman, P Steneteg, IA Abrikosov, SI Simak Physical Review B 87 (10), 104111, 2013 | 540 | 2013 |
| Temperature-dependent effective third-order interatomic force constants from first principles O Hellman, IA Abrikosov Physical Review B 88 (14), 144301, 2013 | 371 | 2013 |
| Phonon thermal transport in Bi 2 Te 3 from first principles O Hellman, DA Broido Physical Review B 90 (13), 134309, 2014 | 230 | 2014 |
| Phonon self-energy and origin of anomalous neutron scattering spectra in SnTe and PbTe thermoelectrics CW Li, O Hellman, J Ma, AF May, HB Cao, X Chen, AD Christianson, ... Physical review letters 112 (17), 175501, 2014 | 153 | 2014 |
| Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in Perovskite from First Principles JJ Zhou, O Hellman, M Bernardi Physical review letters 121 (22), 226603, 2018 | 138 | 2018 |
| Thermal conductivity in PbTe from first principles AH Romero, EKU Gross, MJ Verstraete, O Hellman Physical Review B 91 (21), 214310, 2015 | 127 | 2015 |
| Intrinsic localized mode and low thermal conductivity of PbSe N Shulumba, O Hellman, AJ Minnich Physical Review B 95 (1), 014302, 2017 | 121 | 2017 |
| Two-step phase transition in SnSe and the origins of its high power factor from first principles A Dewandre, O Hellman, S Bhattacharya, AH Romero, GKH Madsen, ... Physical review letters 117 (27), 276601, 2016 | 107 | 2016 |
| Anharmonicity and ultralow thermal conductivity in lead-free halide double perovskites J Klarbring, O Hellman, IA Abrikosov, SI Simak Physical Review Letters 125 (4), 045701, 2020 | 99 | 2020 |
| Temperature dependence of TiN elastic constants from ab initio molecular dynamics simulations P Steneteg, O Hellman, OY Vekilova, N Shulumba, F Tasnádi, ... Physical Review B 87 (9), 094114, 2013 | 98 | 2013 |
| Nuclear quantum effect with pure anharmonicity and the anomalous thermal expansion of silicon DS Kim, O Hellman, J Herriman, HL Smith, JYY Lin, N Shulumba, ... Proceedings of the National Academy of Sciences 115 (9), 1992-1997, 2018 | 95 | 2018 |
| Dynamic and structural stability of cubic vanadium nitride AB Mei, O Hellman, N Wireklint, CM Schlepütz, DG Sangiovanni, B Alling, ... Physical Review B 91 (5), 054101, 2015 | 94 | 2015 |
| Lattice thermal conductivity of polyethylene molecular crystals from first-principles including nuclear quantum effects N Shulumba, O Hellman, AJ Minnich Physical review letters 119 (18), 185901, 2017 | 80 | 2017 |
| Lattice vibrations change the solid solubility of an alloy at high temperatures N Shulumba, O Hellman, Z Raza, B Alling, J Barrirero, F Mücklich, ... Physical review letters 117 (20), 205502, 2016 | 73 | 2016 |
| Thermodynamic modelling of crystalline unary phases M Palumbo, B Burton, A Costa e Silva, B Fultz, B Grabowski, G Grimvall, ... physica status solidi (b) 251 (1), 14-32, 2014 | 73 | 2014 |
| Temperature-dependent elastic properties of Ti1− xAlxN alloys N Shulumba, O Hellman, L Rogström, Z Raza, F Tasnádi, IA Abrikosov, ... Applied Physics Letters 107 (23), 2015 | 66 | 2015 |
| Intrinsic anharmonic localization in thermoelectric PbSe ME Manley, O Hellman, N Shulumba, AF May, PJ Stonaha, JW Lynn, ... Nature communications 10 (1), 1928, 2019 | 65 | 2019 |
| Vibrational free energy and phase stability of paramagnetic and antiferromagnetic CrN from ab initio molecular dynamics N Shulumba, B Alling, O Hellman, E Mozafari, P Steneteg, M Odén, ... Physical Review B 89 (17), 174108, 2014 | 58 | 2014 |
| The origin of the lattice thermal conductivity enhancement at the ferroelectric phase transition in GeTe Đ Dangić, O Hellman, S Fahy, I Savić npj Computational Materials 7 (1), 57, 2021 | 51 | 2021 |
Matthieu VerstraeteProfessor of Physics, University of Liege, BelgiumVerified email at uliege.be
