Gerard, Leon
- Solving the electronic Schrödinger equation for multiple nuclear geometries with weight-sharing deep neural networks
2021/05/18 by Scherbela, Michael, Reisenhofer, Rafael, Gerard, Leon +2 · 3 citations
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)
- Gold-standard solutions to the Schrödinger equation using deep learning: How much physics do we need?
2022/05/19 by Leon Gerard, Michael Scherbela, Gerard, Leon +5 · 2 citations
Materials Science · Physics and Astronomy · Chemical Engineering · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Catalysis and Oxidation Reactions
- DeepErwin
2023/03/17 by Michael Scherbela, Scherbela, Michael, Leon Gerard +3 · 1 citation
Materials Science · Chemistry · Physics and Astronomy · #Machine Learning in Materials Science #Advanced NMR Techniques and Applications #Advanced Chemical Physics Studies
- Variational Monte Carlo on a Budget -- Fine-tuning pre-trained Neural Wavefunctions
2023/07/15 by Michael Scherbela, Scherbela, Michael, Leon Gerard +3 · 1 citation
Materials Science · Chemical Engineering · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Catalysis and Oxidation Reactions
- Transferable Neural Wavefunctions for Solids
2024/05/13 by Gerard, Leon, Scherbela, Michael, Sutterud, Halvard +2 · 1 citation
#Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)