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Books > Science & Mathematics > Physics > Quantum physics (quantum mechanics)
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The Gaussian Approximation Potential - An Interatomic Potential Derived from First Principles Quantum Mechanics (Hardcover, Edition.)
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The Gaussian Approximation Potential - An Interatomic Potential Derived from First Principles Quantum Mechanics (Hardcover, Edition.)
Series: Springer Theses
Expected to ship within 18 - 22 working days
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Simulation of materials at the atomistic level is an important tool
in studying microscopic structures and processes. The atomic
interactions necessary for the simulations are correctly described
by Quantum Mechanics, but the size of systems and the length of
processes that can be modelled are still limited. The framework of
Gaussian Approximation Potentials that is developed in this thesis
allows us to generate interatomic potentials automatically, based
on quantum mechanical data. The resulting potentials offer several
orders of magnitude faster computations, while maintaining quantum
mechanical accuracy. The method has already been successfully
applied for semiconductors and metals.
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