Essays about: "Behler-Parinello Neural network potential"
Found 1 essay containing the words Behler-Parinello Neural network potential.
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1. Using Machine Learning to Develop a Quantum-Accurate Inter-Atomic Potential for Large Scale Molecular Dynamics Simulations of Iron under Earth’s Core Conditions
University essay from KTH/FysikAbstract : Measurements of iron at extreme pressures do not agree on the melting temperature for conditions comparable with those believed to hold at Earth's core. To attempt to determine the stability of relevant lattices, simulations involving a huge amount of particles are needed. READ MORE
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