New Horizons in Computational Chemistry Software (Paperback, 2022)

Technological advances in remote collaborations.-?MLatom 2: An Integrative Platform for Atomistic Machine Learning.-?Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes based on Reduced-Dimension Space.-?NAST: Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes.-?Evolution of the Automatic Rhodopsin Modeling (ARM) protocol.-?Coupled- and independent-trajectory approaches based on the exact factorization using the PyUNIxMD package.-?The Static-Dynamic-Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking.-?Ensemble Density Functional Theory of Neutral and Charged Excitations.