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Search results for physics ab initio simulations
ab-initio-simulations
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4 search results found
Deeph Pack
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161
Deep neural networks for density functional theory Hamiltonian.
Autoforce
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23
Sparse Gaussian Process Potentials
Xdeeph
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15
Extended DeepH (xDeepH) method for magnetic materials.
Quantumespressobase.jl
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13
Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
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