Stein, Christopher J.

1. NewtonNet: A Newtonian message passing network for deep learning of interatomic potentials and forces
   2021/08/06 by Mojtaba Haghighatlari, Haghighatlari, Mojtaba, Jie Li +28 · 17 citations
   Chemistry · Computer Science · Materials Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science #Various Chemistry Research Topics #physics.chem-ph
2. Automated, Consistent, and Even-handed Selection of Active Orbital Spaces for Quantum Embedding
   2023/06/15 by Elena Kolodzeiski, Kolodzeiski, Elena, Christopher J. Stein +1 · 5 citations
   Chemistry · Engineering · Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Mass Spectrometry Techniques and Applications #Molecular Junctions and Nanostructures
3. A statistical perspective on microsolvation
   2022/12/14 by Rahbar, Mohammad, Stein, Christopher J. · 2 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Statistical Mechanics (cond-mat.stat-mech)
4. Benchmarking DFT-based excited-state methods for intermolecular charge-transfer excitations
   2024/05/02 by Nicola Bogo, Christopher J. Stein, Bogo, Nicola +1 · 2 citations
   Chemistry · Engineering · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Molecular Junctions and Nanostructures #Photochemistry and Electron Transfer Studies #Spectroscopy and Quantum Chemical Studies