New Horizons in Computational Chemistry Software (Hardcover)

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.

Massimo Olivucci (엮은이)    정보 더보기

Michael Filatov (엮은이)    정보 더보기

Cheol H. Choi (엮은이)    정보 더보기

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