Publication & Citation Trends
Publications
0 total
Automated, Consistent, and Even-Handed Selection of Active Orbital Spaces for Quantum Embedding OA
Cited by 12
Semantic Scholar
A benchmark dataset for Hydrogen Combustion OA
Cited by 0
Semantic Scholar
A Statistical Perspective on Microsolvation. OA
Cited by 8
Semantic Scholar
High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation. OA
Cited by 27
Semantic Scholar
Stripping away ion hydration shells in electrical double-layer formation: Water networks matter OA
Cited by 61
Semantic Scholar
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package OA
Cited by 986
Semantic Scholar
NewtonNet: a Newtonian message passing network for deep learning of interatomic potentials and forces OA
Cited by 107
Semantic Scholar
Research Topics
Advanced Chemical Physics Studies
(32)
Spectroscopy and Quantum Chemical Studies
(21)
Machine Learning in Materials Science
(18)
Molecular Junctions and Nanostructures
(10)
Catalysis and Oxidation Reactions
(10)
Affiliations
Microsoft (United States)
Pacific Northwest National Laboratory
Lawrence Berkeley National Laboratory
ETH Zurich
Charles Humbert 8