Robert A. DiStasio Jr.
- Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
2020/03/31 by Max Veit, David M. Wilkins, Yang Yang +3 · 113 citations
Computer Science · Materials Science · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Charge (physics) #Dipole #Electric dipole moment #Gaussian #Gaussian Processes and Bayesian Inference #Machine Learning in Materials Science #Moment (physics) #Partial charge #Polarization (electrochemistry) #Quantum #Weighting #physics.chem-ph #physics.comp-ph #stat.ML