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From Quantum Mechanics to Force Fields

A Topical Collection from Theoretical Chemistry Accounts

  • Book
  • © 2013

Overview

Editors:
  1. Jean-Philip Piquemal

    1. Lab. de Chimie Théorique and CNRS, UPMC Sorbonne Université, Paris Cedex 05, France

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    You can also search for this editor in PubMed   Google Scholar

  2. Kenneth D. Jordan

    1. Dept. of Chemistry, Univ. of Pittsburgh, Pittsburgh, USA

    View editor publications

    You can also search for this editor in PubMed   Google Scholar

  • Experts present recent trends in the design and application of accurate force fields
  • Spin-off from the journal Theoretical Chemistry Accounts
  • Now available in hardcover

Part of the book series: Highlights in Theoretical Chemistry (HITC, volume 3)

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Keywords

  • Charge Equilibration Force Fields
  • Force Field for Modeling
  • Hybrid Density Functional
  • Models for Ionic Liquids
  • Molecular Dynamics Simulations
  • Polarizable Force Field
  • Theoretical Chemistry Accounts

About this book

The authors of this volume illustrate recent trends in the design and application of accurate force fields. 15 papers reflect the present questions including the strategies for (i) the inclusion of the polarization energy and (ii) an optimal parametrization of models. They highlight the directions to follow as new exciting fields of application emerge. Expert authors discuss the optimization and parametrization of new models, put in perspectives the actual importance of the polarization energy, as well as review or propose new models explicitly for incorporating polarization. They also present models that are applied to difficult systems or challenging fields of application.
Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume is of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.

Editors and Affiliations

  • Lab. de Chimie Théorique and CNRS, UPMC Sorbonne Université, Paris Cedex 05, France

    Jean-Philip Piquemal

  • Dept. of Chemistry, Univ. of Pittsburgh, Pittsburgh, USA

    Kenneth D. Jordan

Bibliographic Information

  • Book Title: From Quantum Mechanics to Force Fields

  • Book Subtitle: A Topical Collection from Theoretical Chemistry Accounts

  • Editors: Jean-Philip Piquemal, Kenneth D. Jordan

  • Series Title: Highlights in Theoretical Chemistry

  • Publisher: Springer Berlin, Heidelberg

  • Copyright Information: Springer-Verlag Berlin Heidelberg 2013

  • Hardcover ISBN: 978-3-642-34449-7Published: 11 February 2013

  • Softcover ISBN: 978-3-662-51175-6Published: 23 August 2016

  • Series ISSN: 2194-8666

  • Series E-ISSN: 2194-8674

  • Edition Number: 1

  • Number of Pages: VI, 204

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