Finding reaction pathways with optimal atomic index mappings DS De, M Krummenacher, B Schaefer, S Goedecker Physical Review Letters 123 (20), 206102, 2019 | 13 | 2019 |
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 | 8* | 2023 |
Efficient variable cell shape geometry optimization M Gubler, M Krummenacher, H Huber, S Goedecker Journal of Computational Physics: X 17, 100131, 2023 | 6 | 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 | 5 | 2024 |
Response to “Comment on ‘Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions’”[J. Chem. Phys. 156, 034302 … B Parsaeifard, M Krummenacher, S Goedecker The Journal of Chemical Physics 157 (17), 2022 | 2 | 2022 |
Entropic stabilization of a structurally tolerant phase: The ionic phase of lithium alanate M Krummenacher, O Tayfuroglu, J Finkler, H Huber, S Goedecker | | 2024 |
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE)[SoftwareX 25 (2024) 101632] M Krummenacher, M Gubler, JA Finkler, H Huber, M Sommer-Jörgensen, ... SoftwareX 26, 2024 | | 2024 |
Self-assembly and complex formation of amphiphilic star and bottle-brush block copolymers M Krummenacher, MO Steinhauser The Journal of Chemical Physics 157 (15), 2022 | | 2022 |
A descriptor for molecular environments in molecular crystals M Krummenacher, SA Goedecker APS March Meeting Abstracts 2022, T49. 012, 2022 | | 2022 |
Finger prints based biasing for finding complex reaction pathways M Krummenacher, SA Goedecker APS March Meeting Abstracts 2021, M41. 009, 2021 | | 2021 |
Finger prints based biasing for finding complex reaction pathways. D De, M Krummenacher, B Schaefer, SA Goedecker Bulletin of the American Physical Society 65, 2020 | | 2020 |