Foundations of Molecular Modeling and Simulation

Select Papers from FOMMS 2015

Editors:

ISBN: 978-981-10-1126-9 (Print) 978-981-10-1128-3 (Online)

Table of contents (10 chapters)

  1. Front Matter

    Pages i-xiv

  2. No Access

    Chapter

    Pages 1-20

    A Discontinuous Potential Model for Protein–Protein Interactions

  3. No Access

    Chapter

    Pages 21-35

    Probing How Defects in Self-assembled Monolayers Affect Peptide Adsorption with Molecular Simulation

  4. No Access

    Chapter

    Pages 37-52

    Development of a Coarse-Grained Water Forcefield via Multistate Iterative Boltzmann Inversion

  5. No Access

    Chapter

    Pages 53-77

    Optimizing Molecular Models Through Force-Field Parameterization via the Efficient Combination of Modular Program Packages

  6. No Access

    Chapter

    Pages 79-92

    A Hierarchical, Component Based Approach to Screening Properties of Soft Matter

  7. No Access

    Chapter

    Pages 93-106

    Quantum Virial Coefficients via Path Integral Monte Carlo with Semi-classical Beads

  8. No Access

    Chapter

    Pages 107-123

    Homogeneous Nucleation of [dmim+][Cl] from its Supercooled Liquid Phase: A Molecular Simulation Study

  9. No Access

    Chapter

    Pages 125-135

    Influence of the Precursor Composition and Reaction Conditions on Raney-Nickel Catalytic System

  10. No Access

    Chapter

    Pages 137-151

    Atomistic Modeling and Simulation for Solving Gas Extraction Problems

  11. No Access

    Chapter

    Pages 153-168

    Atomistic Simulations of CO2 During “Trapdoor” Adsorption onto Na-Rho Zeolite