DiStasio, Robert A.
- Accurate molecular polarizabilities with coupled-cluster theory and machine learning
2018/09/14 by Wilkins, David M., Grisafi, Andrea, Yang, Yang +3 · 5 citations
#Chemical Physics (physics.chem-ph) #FOS: Physical sciences
- 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, Abbott, Joseph W., Carlos Mera Acosta +405 · 3 voices · 9 citations
#cond-mat.mtrl-sci #physics.chem-ph
- Selected Columns of the Density Matrix in an Atomic Orbital Basis I: An Intrinsic and Non-Iterative Orbital Localization Scheme for the Occupied Space
2021/08/13 by Fuemmeler, Eric G., Damle, Anil, DiStasio, Robert A. · 1 citation
#Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences