Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides M Gubler, JA Flores-Livas, A Kozhevnikov, S Goedecker Physical Review Materials 6 (1), 014801, 2022 | 28 | 2022 |
Targeting high symmetry in structure predictions by biasing the potential energy surface H Huber, M Sommer-Jörgensen, M Gubler, S Goedecker Physical Review Research 5 (1), 013189, 2023 | 8 | 2023 |
The ternary phase diagram of nitrogen doped lutetium hydrides can not explain its claimed high TC superconductivity M Gubler, M Krummenacher, JA Finkler, JA Flores-Livas, S Goedecker New Journal of Physics 25 (12), 123008, 2023 | 5* | 2023 |
Efficient variable cell shape geometry optimization M Gubler, M Krummenacher, H Huber, S Goedecker Journal of Computational Physics: X 17, 100131, 2023 | 5 | 2023 |
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE) M Krummenacher, M Gubler, JA Finkler, H Huber, M Sommer-Jörgensen, ... SoftwareX 25, 101632, 2024 | 2 | 2024 |
Accelerating fourth-generation machine learning potentials by quasi-linear scaling particle mesh charge equilibration M Gubler, JA Finkler, MR Schäfer, J Behler, S Goedecker arXiv preprint arXiv:2403.02155, 2024 | | 2024 |