Reviews in Computational Chemistry, Volume 29Udgave 1

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 29 include:

• Noncovalent Interactions in Density-Functional Theory
• Long-Range Inter-Particle Interactions:  Insights from Molecular Quantum Electrodynamics (QED) Theory
• Efficient Transition-State Modeling using Molecular Mechanics Force Fields for the Everyday Chemist
• Machine Learning in Materials Science:  Recent Progress and Emerging Applications
• Discovering New Materials via a priori Crystal Structure Prediction
• Introduction to Maximally Localized Wannier Functions
• Methods for a Rapid and Automated Description of Proteins: Protein Structure, Protein Similarity, and Protein Folding