Lattice dynamics of anharmonic solids from first principles O Hellman, IA Abrikosov, SI Simak
Physical Review B—Condensed Matter and Materials Physics 84 (18), 180301, 2011
691 2011 Temperature dependent effective potential method for accurate free energy calculations of solids O Hellman, P Steneteg, IA Abrikosov, SI Simak
Physical Review B—Condensed Matter and Materials Physics 87 (10), 104111, 2013
607 2013 Temperature-dependent effective third-order interatomic force constants from first principles O Hellman, IA Abrikosov
Physical Review B—Condensed Matter and Materials Physics 88 (14), 144301, 2013
427 2013 Phonon thermal transport in O Hellman, DA Broido
Physical Review B 90 (13), 134309, 2014
251 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
162 2014 Electron-Phonon Scattering in the Presence of Soft Modes and Electron Mobility in JJ Zhou, O Hellman, M Bernardi
Physical review letters 121 (22), 226603, 2018
156 2018 Thermal conductivity in PbTe from first principles AH Romero, EKU Gross, MJ Verstraete, O Hellman
Physical Review B 91 (21), 214310, 2015
139 2015 Intrinsic localized mode and low thermal conductivity of PbSe N Shulumba, O Hellman, AJ Minnich
Physical Review B 95 (1), 014302, 2017
136 2017 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
119 2020 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
112 2016 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
105 2018 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—Condensed Matter and Materials Physics 87 (9), 094114, 2013
98 2013 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
97 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
93 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
78 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
75 2014 Intrinsic anharmonic localization in thermoelectric PbSe ME Manley, O Hellman, N Shulumba, AF May, PJ Stonaha, JW Lynn, ...
Nature communications 10 (1), 1928, 2019
70 2019 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
69 2015 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
62 2021 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 
Matthieu VerstraeteProfessor of Physics, University of Liege, BelgiumEmail verificata su uliege.be
