Multiscale Simulation Methods for Nanomaterials

Multiscale Simulation Methods for Nanomaterials

Editor(s): Richard B. Ross, Sanat Mohanty

Published Online: 30 APR 2007

Print ISBN: 9780470105283

Online ISBN: 9780470191675

DOI: 10.1002/9780470191675

About this Book

This book stems from the American Chemical Society symposium, Large Scale Molecular Dynamics, Nanoscale, and Mesoscale Modeling and Simulation: Bridging the Gap, that delved into the latest methodologies and applications for largescale, multiscale, and mesoscale modeling and simulation. It presents real-world applications of simulated and synthesized materials, including organic-, inorganic-, bio-, and nanomaterials, and helps readers determine the best method for their simulation. It gets novices up to speed quickly and helps experienced practitioners discover novel approaches and alternatives.

Table of contents

    1. You have free access to this content
    2. You have free access to this content
    3. Chapter 10

      Aluminum Nanoparticles: Accurate Potential Energy Functions and Physical Properties (pages 169–188)

      Nathan E. Schultz, Ahren W. Jasper, Divesh Bhatt, J. Ilja Siepmann and Donald G. Truhlar

    4. Chapter 11

      Large-Scale Monte Carlo Simulations for Aggregation, Self-Assembly, and Phase Equilibria (pages 189–199)

      Jake L. Rafferty, Ling Zhang, Nikolaj D. Zhuravlev, Kelly E. Anderson, Becky L. Eggimann, Matthew J. McGrath and J. Ilja Siepmann

    5. You have free access to this content