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20092026
most citedGaussian Approximation Potentials: the accuracy of quantum mechanics, without the electrons

3.2k citations · 6k across the 17 of their papers we have counts for

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cond-mat.mtrl-sci2010★ 13 cited

Gaussian Approximation Potential: an interatomic potential derived from first principles Quantum Mechanics

Albert P. Bartók

Simulation of materials at the atomistic level is an important tool in studying microscopic structure and processes. The atomic interactions necessary for the simulation are correc…