Robert A. DiStasio
- Predicting molecular dipole moments by combining atomic partial charges and atomic dipoles
2020/07/09 by Max Veit, David M. Wilkins, Yang Yang +2 · 32 citations
Materials Science · Physics and Astronomy · Computer Science · #Machine Learning in Materials Science #Advanced Chemical Physics Studies #Gaussian Processes and Bayesian Inference
- Many-Body Dispersion Interactions in Molecular Crystal Polymorphism
2012/10/20 by Noa Marom, Marom, Noa, Robert A. DiStasio +11 · 3 citations
Chemistry · Materials Science · Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #Molecular spectroscopy and chirality #Nonlinear Optical Materials Research #Spectroscopy and Quantum Chemical Studies
- Roadmap on Advancements of the FHI-aims Software Package
2025/04/30 by Joseph W. Abbott, Carlos Mera Acosta, Abbott, Joseph W. +405 · 3 voices · 9 citations
#cond-mat.mtrl-sci #physics.chem-ph