Stefan Goedecker
Affiliations: | Physics | University of Basel, Basel, Basel-Stadt, Switzerland |
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Sign in to add trainee| Maximilian Amsler | grad student | 2009-2012 | University of Basel |
| Andris Guļāns | post-doc | University of Basel (Physics Tree) |
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Publications
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| Gubler M, Finkler JA, Schäfer MR, et al. (2024) Accelerating Fourth-Generation Machine Learning Potentials Using Quasi-Linear Scaling Particle Mesh Charge Equilibration. Journal of Chemical Theory and Computation |
| Ko TW, Finkler JA, Goedecker S, et al. (2023) Accurate Fourth-Generation Machine Learning Potentials by Electrostatic Embedding. Journal of Chemical Theory and Computation. 19: 3567-3579 |
| Rahmatizad Khajehpasha E, Goedecker S, Ghasemi SA. (2021) New strontium titanate polymorphs under high pressure. Journal of Computational Chemistry |
| Ko TW, Finkler JA, Goedecker S, et al. (2021) General-Purpose Machine Learning Potentials Capturing Nonlocal Charge Transfer. Accounts of Chemical Research |
| Ko TW, Finkler JA, Goedecker S, et al. (2021) A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer. Nature Communications. 12: 398 |
| Ratcliff LE, Dawson W, Fisicaro G, et al. (2020) Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations. The Journal of Chemical Physics. 152: 194110 |
| Finkler JA, Goedecker S. (2020) Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicity. The Journal of Chemical Physics. 152: 164106 |
| Fisicaro G, Filice S, Scalese S, et al. (2020) Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces Journal of Physical Chemistry C. 124: 2406-2419 |
| De DS, Krummenacher M, Schaefer B, et al. (2019) Finding Reaction Pathways with Optimal Atomic Index Mappings. Physical Review Letters. 123: 206102 |
| Puglisi RA, Caccamo S, Bongiorno C, et al. (2019) Direct observation of single organic molecules grafted on the surface of a silicon nanowire. Scientific Reports. 9: 5647 |