The Hiphive Package for the Extraction of High‐Order Force Constants by Machine Learning F Eriksson, E Fransson, P Erhart Advanced Theory and Simulations 2 (5), 1800184, 2019 | 144 | 2019 |

ICET–A Python library for constructing and sampling alloy cluster expansions M Ångqvist, WA Muñoz, JM Rahm, E Fransson, C Durniak, P Rozyczko, ... Advanced Theory and Simulations 2 (7), 1900015, 2019 | 78 | 2019 |

A Solution‐Doped Polymer Semiconductor: Insulator Blend for Thermoelectrics D Kiefer, L Yu, E Fransson, A Gómez, D Primetzhofer, A Amassian, ... Advanced Science 4 (1), 1600203, 2017 | 75 | 2017 |

Extremely anisotropic van der Waals thermal conductors SE Kim, F Mujid, A Rai, F Eriksson, J Suh, P Poddar, A Ray, C Park, ... Nature 597 (7878), 660-665, 2021 | 74 | 2021 |

Atomicrex—a general purpose tool for the construction of atomic interaction models A Stukowski, E Fransson, M Mock, P Erhart Modelling and Simulation in Materials Science and Engineering 25 (5), 055003, 2017 | 24 | 2017 |

Efficient construction of linear models in materials modeling and applications to force constant expansions E Fransson, F Eriksson, P Erhart npj Computational Materials 6 (1), 135, 2020 | 20* | 2020 |

Complexions and grain growth retardation: First-principles modeling of phase boundaries in WC-Co cemented carbides at elevated temperatures E Fransson, M Gren, G Wahnström Acta Materialia 216, 117128, 2021 | 13 | 2021 |

Thermal conductivity in intermetallic clathrates: A first-principles perspective DO Lindroth, J Brorsson, E Fransson, F Eriksson, A Palmqvist, P Erhart Physical Review B 100 (4), 045206, 2019 | 12 | 2019 |

Defects from phonons: Atomic transport by concerted motion in simple crystalline metals E Fransson, P Erhart Acta Materialia 196, 770-775, 2020 | 11 | 2020 |

A tale of two phase diagrams: Interplay of ordering and hydrogen uptake in Pd–Au–H JM Rahm, J Löfgren, E Fransson, P Erhart Acta Materialia 211, 116893, 2021 | 10 | 2021 |

dynasor—A Tool for Extracting Dynamical Structure Factors and Current Correlation Functions from Molecular Dynamics Simulations E Fransson, M Slabanja, P Erhart, G Wahnström Advanced Theory and Simulations 4 (2), 2000240, 2021 | 9 | 2021 |

Modeling of vibrational and configurational degrees of freedom in hexagonal and cubic tungsten carbide at high temperatures M Gren, E Fransson, M Ångqvist, P Erhart, G Wahnström Physical Review Materials 5 (3), 033804, 2021 | 8 | 2021 |

A computational study of the temperature dependence of interface and surface energies in WC–Co cemented carbides MA Gren, E Fransson, G Wahnström International Journal of Refractory Metals and Hard Materials 87, 105114, 2020 | 7 | 2020 |

Efficient Calculation of the Lattice Thermal Conductivity by Atomistic Simulations with Ab Initio Accuracy J Brorsson, A Hashemi, Z Fan, E Fransson, F Eriksson, T Ala‐Nissila, ... Advanced Theory and Simulations, 2100217, 2021 | 6 | 2021 |

Local and Global Ordering in Barium Zirconate, a Model Potential Study E FRANSSON, JL HÅKANSSON Tesis, 2014 | 4 | 2014 |

First-principles modeling of complexions at the phase boundaries in Ti-doped WC-Co cemented carbides at finite temperatures E Fransson, M Gren, H Larsson, G Wahnström Physical Review Materials 5 (9), 093801, 2021 | 3 | 2021 |

Atomic-scale investigation of interfacial structures in WC-Co at finite temperatures E Fransson PQDT-Global, 2021 | 1 | 2021 |

Phase transitions in inorganic halide perovskites from machine learning potentials E Fransson, J Wiktor, P Erhart arXiv preprint arXiv:2301.03497, 2023 | | 2023 |

Probing the limits of the phonon quasi-particle picture: The transition from underdamped to overdamped dynamics in CsPbBr3 E Fransson, P Rosander, F Eriksson, JM Rahm, T Tadano, P Erhart arXiv preprint arXiv:2211.08197, 2022 | | 2022 |

Computational investigation of interface structure and composition in cemented carbides at finite temperatures E Fransson PQDT-Global, 2019 | | 2019 |