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Molecular Dynamics

From Classical to Quantum Methods

  • 1st Edition, Volume 7 - March 1, 1999
  • Editors: Perla Balbuena, Jorge M. Seminario
  • Language: English
  • Hardback ISBN:
    9 7 8 - 0 - 4 4 4 - 8 2 9 1 0 - 8
  • eBook ISBN:
    9 7 8 - 0 - 0 8 - 0 5 3 6 8 4 - 2

The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations… Read more

Molecular Dynamics

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The latest developments in quantum and classical molecular dynamics, related techniques, and their applications to several fields of science and engineering. Molecular simulations include a broad range of methodologies such as Monte Carlo, Brownian dynamics, lattice dynamics, and molecular dynamics (MD).

Features of this book:

• Presents advances in methodologies, introduces quantum methods and lists new techniques for classical MD

• Deals with complex systems: biomolecules, aqueous solutions, ice and clathrates, liquid crystals, polymers

• Provides chemical reactions, interfaces, catalysis, surface phenomena and solids

Although the book is not formally divided into methods and applications, the chapters are arranged starting with those that discuss new algorithms, methods and techniques, followed by several important applications.