Prof. Dr. Stefan Goedecker
Professor
Stefan Goedecker
Philosophisch-Naturwissenschaftliche Fakultät
Departement Physik
FG Goedecker

Professor

Klingelbergstrasse 82
4056 Basel
Schweiz

Tel. +41 61 207 37 43
stefan.goedecker@clutterunibas.ch

Finkler, J. A. und Goedecker, S. (2020) «Funnel hopping Monte Carlo: An efficient method to overcome broken ergodicity», Journal of Clinical Physics. American Institute of Physics , 152(16), S. 164106. doi: 10.1063/5.0004106.   edoc | Open Access
Ratcliff, L. E., Dawson, W., Fisicaro, G., Caliste, D., Mohr, S., Degomme, A., Videau, B., Cristiglio, V., Stella, M., D’Alessandro, M., Goedecker, S., Nakajima, T., Deutsch, T. und Genovese, L. (2020) «Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations», Journal of Chemical Physics. AIP Publishing, 152(19), S. 194110. doi: 10.1063/5.0004792.   edoc
Fisicaro, G., Filice, S., Scalese, S., Compagnini, G., Reitano, R., Genovese, L., Goedecker, S., Deretzis, I. und La Magna, A. (2020) «Wet Environment Effects for Ethanol and Water Adsorption on Anatase TiO2 (101) Surfaces», Journal of Physical Chemistry C. American Chemical Society, 124(4), S. 2406-2419. doi: 10.1021/acs.jpcc.9b05400.   edoc | Open Access
Titel Status
Towards Quantifying the Synthesizability of Materials Laufend
Development of a Neural Network Potential with Accurate Electrostatic Interactions Laufend
NCCR MARVEL - Computational Design and Discovery of Novel Materials Abgeschlossen