Stefan Goedecker
Universität Basel
H-index: 63
Europe-Switzerland
Top articles of Stefan Goedecker
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE) | SoftwareX | Marco Krummenacher Moritz Gubler Jonas A Finkler Hannes Huber Martin Sommer-Jörgensen | 2024/2/1 |
Accelerating fourth-generation machine learning potentials by quasi-linear scaling particle mesh charge equilibration | arXiv preprint arXiv:2403.02155 | Moritz Gubler Jonas A Finkler Moritz R Schäfer Jörg Behler Stefan Goedecker | 2024/3/4 |
COMPASS: Double-ended saddle point search as a constrained optimization problem | The Journal of Chemical Physics | Martin Sommer-Jörgensen Stefan Goedecker | 2024/2/14 |
Corrigendum to performing highly efficient minima hopping structure predictions using the Atomic Simulation Environment (ASE)[SoftwareX 25 (2024) 101632] | SoftwareX | Marco Krummenacher Moritz Gubler Jonas A Finkler Hannes Huber Martin Sommer-Jörgensen | 2024/2/2 |
Accurate fourth-generation machine learning potentials by electrostatic embedding | Journal of Chemical Theory and Computation | Tsz Wai Ko Jonas A Finkler Stefan Goedecker Jörg Behler | 2023/6/8 |
Targeting high symmetry in structure predictions by biasing the potential energy surface | Physical Review Research | Hannes Huber Martin Sommer-Jörgensen Moritz Gubler Stefan Goedecker | 2023/3/17 |
The ternary phase diagram of nitrogen doped lutetium hydrides can not explain its claimed high TC superconductivity | New Journal of Physics | Moritz Gubler Marco Krummenacher Jonas A Finkler José A Flores-Livas Stefan Goedecker | 2023/12/5 |
Principles of isomer stability in small clusters | Materials Advances | Giuseppe Fisicaro Bastian Schaefer Jonas A Finkler Stefan Goedecker | 2023 |
Efficient variable cell shape geometry optimization | Journal of Computational Physics: X | Moritz Gubler Marco Krummenacher Hannes Huber Stefan Goedecker | 2023/11/1 |
Experimental absence of the non-perovskite ground state phases of MaPbI 3 explained by a funnel hopping Monte Carlo study based on a neural network potential | Materials Advances | Jonas A Finkler Stefan Goedecker | 2023 |
Preventing lead leakage in perovskite solar cells with a sustainable titanium dioxide sponge | Nature Sustainability | Salvatore Valastro Emanuele Smecca Giovanni Mannino Corrado Bongiorno Giuseppe Fisicaro | 2023/8 |
Ternary phase diagram of nitrogen doped lutetium hydrides | arXiv preprint arXiv:2306.07746 | Moritz Gubler Marco Krummenacher Jonas A Finkler Stefan Goedecker | 2023/6/13 |
Funnel Hopping Monte Carlo: Efficient Monte Carlo simulations for multi-funnel systems | APS March Meeting Abstracts | Jonas Finkler Stefan A Goedecker | 2022 |
First-principles equation of state of CHON resin for inertial confinement fusion applications | Physical Review E | Shuai Zhang Valentin V Karasiev Nathaniel Shaffer Deyan I Mihaylov Katarina Nichols | 2022/10/20 |
Manifolds of quasi-constant SOAP and ACSF fingerprints and the resulting failure to machine learn four-body interactions | The Journal of Chemical Physics | Behnam Parsaeifard Stefan Goedecker | 2022/1/21 |
Missing theoretical evidence for conventional room-temperature superconductivity in low-enthalpy structures of carbonaceous sulfur hydrides | Physical Review Materials | Moritz Gubler José A Flores-Livas Anton Kozhevnikov Stefan Goedecker | 2022/1/6 |
First-Principles Equation of State of CHON for Two-Photon-Polymerization-Fabricated Inertial Confinement Fusion Targets | APS Division of Plasma Physics Meeting Abstracts | Shuai Zhang Valentin Karasiev Nathaniel Shaffer Suxing Hu Deyan Mihaylov | 2022 |
A descriptor for molecular environments in molecular crystals | APS March Meeting Abstracts | Marco Krummenacher Stefan A Goedecker | 2022 |
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 … | The Journal of Chemical Physics | Behnam Parsaeifard Marco Krummenacher Stefan Goedecker | 2022/11/7 |
Structure prediction of ionic materials using the Minima Hopping method and the CENT machine learning potential | APS March Meeting Abstracts | Stefan A Goedecker Hossein Tahmasbi Ehsan Khajehpasha Samare Rostami Hossein Asnaashari | 2021 |
