Lattice dynamics simulation using machine learning interatomic potentials

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Fast Parallel Algorithms for Short-Range Molecular Dynamics

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Adri C. T. van Duin, Siddharth Dasgupta, François Lorant et al. · The Journal of Physical Chemistry A · 2001 · 6.3K citations

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Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

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