Entropy driven stabilization of energetically unstable crystal structures explained from first principles theory P Souvatzis, O Eriksson, MI Katsnelson, SP Rudin arXiv preprint arXiv:0803.1325, 2008 | 458 | 2008 |

Entropically stabilized local dipole formation in lead chalcogenides ES Božin, CD Malliakas, P Souvatzis, T Proffen, NA Spaldin, ... Science 330 (6011), 1660-1663, 2010 | 394 | 2010 |

Surface energies and work functions of the transition metal carbides HW Hugosson, O Eriksson, U Jansson, AV Ruban, P Souvatzis, ... Surface Science 557 (1-3), 243-254, 2004 | 155 | 2004 |

The self-consistent ab initio lattice dynamical method P Souvatzis, O Eriksson, MI Katsnelson, SP Rudin Computational materials science 44 (3), 888-894, 2009 | 150 | 2009 |

Elasticity of the superconducting metals V, Nb, Ta, Mo, and W at high pressure L Koči, Y Ma, AR Oganov, P Souvatzis, R Ahuja Physical Review B 77 (21), 214101, 2008 | 139 | 2008 |

Dynamical stability of body center cubic iron at the Earth’s core conditions W Luo, B Johansson, O Eriksson, S Arapan, P Souvatzis, MI Katsnelson, ... Proceedings of the National Academy of Sciences 107 (22), 9962-9964, 2010 | 71 | 2010 |

High-temperature phonon stabilization of γ-uranium from relativistic first-principles theory P Söderlind, B Grabowski, L Yang, A Landa, T Björkman, P Souvatzis, ... Physical Review B 85 (6), 060301, 2012 | 65 | 2012 |

Anomalous thermal expansion in α-titanium P Souvatzis, O Eriksson, MI Katsnelson Physical review letters 99 (1), 015901, 2007 | 53 | 2007 |

First-principles prediction of superplastic transition-metal alloys P Souvatzis, MI Katsnelson, S Simak, R Ahuja, O Eriksson, P Mohn Physical Review B 70 (1), 012201, 2004 | 53 | 2004 |

Ab initio calculations of the phonon spectra and the thermal expansion coefficients of the 4 d metals P Souvatzis, O Eriksson Physical Review B 77 (2), 024110, 2008 | 44 | 2008 |

Ab initio study of interacting lattice vibrations and stabilization of the β phase in Ni-Ti shape-memory alloy P Souvatzis, D Legut, O Eriksson, MI Katsnelson Physical Review B 81 (9), 092201, 2010 | 43 | 2010 |

Interplay between effect of Mo and chemical disorder on the stability of beta/beta_o-TiAl phase David Holec, Domink Legut, Leyla Isaeva, Petros Souvatzis, Helmut Clemens ... Intermetallics 61, 85-90, 2015 | 42 | 2015 |

Dynamical stabilization of cubic ZrO 2 by phonon-phonon interactions: Ab initio calculations P Souvatzis, SP Rudin Physical Review B 78 (18), 184304, 2008 | 40 | 2008 |

First principles molecular dynamics without self-consistent field optimization P Souvatzis, A Niklasson The Journal of Chemical Physics 140 (4), 2014 | 38 | 2014 |

Calculation of the equation of state of fcc Au from first principles P Souvatzis, A Delin, O Eriksson Physical Review B 73 (5), 054110, 2006 | 35 | 2006 |

Temperature-driven α-to-β phase transformation in Ti, Zr and Hf from first-principles theory combined with lattice dynamics P Souvatzis, S Arapan, O Eriksson, MI Katsnelson Europhysics letters 96 (6), 66006, 2011 | 34 | 2011 |

Lattice dynamics and chemical bonding in Sb2Te3 from first-principles calculations BT Wang, P Souvatzis, O Eriksson, P Zhang The JOURNAL OF CHEMICAL PHYSICS 142 (17), 174702, 2015 | 28 | 2015 |

Dynamical stabilization of the body centered cubic phase in lanthanum and thorium by phonon–phonon interaction P Souvatzis, T Björkman, O Eriksson, P Andersson, MI Katsnelson, ... Journal of Physics: Condensed Matter 21 (17), 175402, 2009 | 24 | 2009 |

Extended Lagrangian Born-Oppenheimer molecular dynamics in the limit of vanishing self-consistent field optimization P Souvatzis, A Niklasson The Journal of Chemical Physics 139 (21), 2013 | 21 | 2013 |

Femtosecond bond breaking and charge dynamics in ultracharged amino acids O Grånäs, N Timneanu, I Eliah Dawod, D Ragazzon, S Trygg, P Souvatzis, ... The Journal of chemical physics 151 (14), 2019 | 17 | 2019 |