Moritz Gubler
- Performing highly efficient Minima Hopping structure predictions using the Atomic Simulation Environment (ASE)
2023/09/15 by Marco Krummenacher, Krummenacher, Marco, Moritz Gubler +9 · 2 citations
Chemical Engineering · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science
- Targeting high symmetry in structure predictions by biasing the potential energy surface
2022/09/12 by Hannes Huber, Huber, Hannes, Martin Sommer +5 · 1 citation
Chemistry · Materials Science · #70-08 #Boron and Carbon Nanomaterials Research #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Fullerene Chemistry and Applications #J.2 #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- RuNNer 2.0: A Software Suite for High-Dimensional Neural Network Potentials
2026/07/20 by Alexander L. M. Knoll, Moritz R. Schäfer, K. Nikolas Lausch +10
#physics.chem-ph #cond-mat.mtrl-sci #physics.comp-ph