Reviews in Computational Chemistry, Volume 31

by Abby L Parrill (Editor), Kenny B. Lipkowitz (Editor)

The Reviews in Computational Chemistry series brings together leading authorities in the field to teach the newcomer and update the expert on topics centered on molecular modeling, such as computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity relationships (QSAR). This volume, like those prior to it, features chapters by experts in various fields of computational chemistry.  Topics in Volume 31

Lattice-Boltzmann Modeling of Multicomponent   An Introduction
Modeling Mechanochemistry from First Principles
Mapping Energy Transport Networks in Proteins
The Role of Computations in Catalysis
The Construction of Ab Initio Based Potential Energy Surfaces
Uncertainty Quantification for Molecular Dynamics

352 pages, Hardcover

Published November 6, 2018