Anharmonicity measure for materials F Knoop, TAR Purcell, M Scheffler, C Carbogno Physical Review Materials 4 (8), 083809, 2020 | 42 | 2020 |
FHI-vibes: Ab Initio Vibrational Simulations F Knoop, T Purcell, M Scheffler, C Carbogno The Journal of Open Source Software 5 (56), 2020 | 7 | 2020 |
High-pressure synthesis of seven lanthanum hydrides with a significant variability of hydrogen content D Laniel, F Trybel, B Winkler, F Knoop, T Fedotenko, S Khandarkhaeva, ... Nature Communications 13 (1), 6987, 2022 | 4 | 2022 |
Heat transport in strongly anharmonic solids from first principles F Knoop PQDT-Global, 2022 | 3 | 2022 |
Anharmonicity in Thermal Insulators--An Analysis from First Principles F Knoop, TAR Purcell, M Scheffler, C Carbogno arXiv preprint arXiv:2209.12720, 2022 | | 2022 |
Ab initio Green-Kubo simulations of heat transport in solids: method and implementation F Knoop, M Scheffler, C Carbogno arXiv preprint arXiv:2209.01139, 2022 | | 2022 |