Chmiela, Stefan

1. Accurate global machine learning force fields for molecules with hundreds of atoms
   2022/09/29 by Stefan Chmiela, Chmiela, Stefan, Valentín Vassilev-Galindo +11 · 19 citations
   Biochemistry, Genetics and Molecular Biology · Engineering · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Fuel Cells and Related Materials #Machine Learning in Materials Science #Protein Structure and Dynamics
2. Euclidean Fast Attention -- Machine Learning Global Atomic Representations at Linear Cost
   2024/12/11 by J. Thorben Frank, Stefan Chmiela, Frank, J. Thorben +5 · 8 citations
   Materials Science · #Electron and X-Ray Spectroscopy Techniques #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #X-ray Diffraction in Crystallography
3. Towards Linearly Scaling and Chemically Accurate Global Machine Learning Force Fields for Large Molecules
   2022/09/08 by Kabylda, Adil, Vassilev-Galindo, Valentin, Chmiela, Stefan +2 · 3 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
4. Sampling 3D Molecular Conformers with Diffusion Transformers
   2025/06/18 by J. Thorben Frank, Frank, J. Thorben, Winfried Ripken +9 · 1 citation
   Chemical Engineering · Chemistry · Pharmacology, Toxicology and Pharmaceutics · #Catalysis and Oxidation Reactions #Chemical Reactions and Isotopes #Crystallography and molecular interactions #FOS: Computer and information sciences #Machine Learning (cs.LG)