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The Gaussian Approximation Potential: An Interatomic Potential Derived from First Principles Quantum Mechanics - Softcover
Synopsis
The framework of Gaussian Approximation Potentials developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The method has already been successfully applied to semiconductors and metals.
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Review
From the reviews:
“This book is actually an account of the Ph.D. work of the author, and is aimed at practitioners of molecular simulation (physicists and materials scientists, mostly) who want to construct reliable empirical force fields parameterized by data obtained from equilibrium quantum mechanical computations.” (Gabriel Stoltz, Mathematical Reviews, Issue 2011 j)"About this title" may belong to another edition of this title.
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