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Molecular Dynamics: From Classical to Quantum Methods by Perla Balbuena

Molecular Dynamics: From Classical to Quantum Methods

by Perla Balbuena
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Book cover type: Hardcover
  • ISBN13: 9780444829108
  • Binding: Hardcover
  • Subject: N/A
  • Publisher: Elsevier Science
  • Publisher Imprint: Elsevier Science
  • Publication Date:
  • Pages: 945
  • Original Price: USD 545.0
  • Language: English
  • Edition: N/A
  • Item Weight: 1538 grams
  • BISAC Subject(s): Chemistry / Physical & Theoretical, Chemistry / Analytic, and Chemistry / Computational & Molecular Modeling

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.

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