Simon Axelrod

1. GEOM: Energy-annotated molecular conformations for property prediction and molecular generation
   2020/06/09 by Simon Axelrod, Rafael Gómez‐Bombarelli, Axelrod, Simon +1 · 26 citations
   Computer Science · Materials Science · Environmental Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Chemistry and Chemical Engineering
2. Accurate computation of quantum excited states with neural networks
   2023/08/31 by David Pfau, Simon Axelrod, Halvard Sutterud +2 · 1 voice · 26 citations
   Physics and Astronomy · Materials Science · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Spectroscopy and Quantum Chemical Studies
3. Differentiable Molecular Simulations for Control and Learning
   2020/02/27 by Wujie Wang, Wang, Wujie, Simon Axelrod +3 · 2 citations
   Chemistry · Computer Science · Materials Science · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #Computational Physics (physics.comp-ph) #Data Analysis #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Statistics and Probability (physics.data-an) #Various Chemistry Research Topics