Reschützegger, Thiago

1. Force-Free Molecular Dynamics Through Autoregressive Equivariant Networks
   2025/03/31 by Thiemann, Fabian L., Reschützegger, Thiago, Esposito, Massimiliano +3 · 7 citations
   #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
2. Advancing Molecular Machine Learning Representations with Stereoelectronics-Infused Molecular Graphs
   2024/08/08 by Boiko, Daniil A., Reschützegger, Thiago, Sanchez-Lengeling, Benjamin +2 · 2 citations
   #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG)