Reviews in Computational Chemistry, Volume 31

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Guide to Reviews in Computational Chemistry

A Brief History of the Lattice Boltzmann Method
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An introduction to Lattice-Boltzmann Modeling of Multicomponent Systems
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B01=Abby L. Parrill
B01=Kenny B. Lipkowitz
Boundary Conditions
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Common Lattice Boltzman Models
Continuum Kinetic Theory
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Discrete Velocity Models
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Fluid-Particle Coupling
Governing Continuum Equations
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Lattice Boltzmann Algorithm for Binary Fluid
LBM for Multiphase Fluids
Mapping Energy Transport Networks in Proteins
Normal Modes of Proteins
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Parameter Choice in Lattice Boltzmann Simulations
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resource to review in computational chemistry
Simulating Energy Transport in Terms of Normal Modes

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Space-Time Discretization
Text on reviews in computational chemistry
The Fluctuating Lattice Boltzmann Equation
The Lattice Boltzmann Equation
Thermal and Energy Flow in Macromolecules
understanding computational chemistry

Product details

  • ISBN 9781119518020
  • Weight: 454g
  • Dimensions: 10 x 10mm
  • Publication Date: 23 Oct 2018
  • Publisher: John Wiley & Sons Inc
  • Publication City/Country: US
  • Product Form: Hardback
  • Language: English
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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 include:

Lattice-Boltzmann Modeling of Multicomponent Systems:  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

ABBY L. PARRILL, Ph.D., is a Professor in the Department of Chemistry at the University of Memphis, TN. Her research interests are in bioorganic chemistry, protein modeling, and rational ligand design and synthesis.

KENNY B. LIPKOWITZ, Ph.D., was one of the founding co-editors of Reviews in Computational Chemistry. He spent 28 years as an academician and then moved to the Office of Naval Research where he is a Program Manager in Computer-Aided Materials Design.