Learning to Use the Force: Fitting Repulsive Potentials in Density

By A Mystery Man Writer

Physically informed artificial neural networks for atomistic modeling of materials

PDF) Accurate Many-Body Repulsive Potentials for Density-Functional Tight-Binding from Deep Tensor Neural Networks

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PDF) Graph Convolutional Neural Networks for (QM)ML/MM Molecular Dynamics Simulations

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Self-consistent determination of long-range electrostatics in neural network potentials

Machine learning method for tight-binding Hamiltonian parameterization from ab-initio band structure

can someone please do an example of what trying to

Machine learning method for tight-binding Hamiltonian parameterization from ab-initio band structure

Mapping the electrostatic force field of single molecules from high-resolution scanning probe images

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