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Atomic Forces

Predicion of the atomic forces, generally calculated with a quantum mechanical code (e.g. at DFT theory).

Papers

Showing 2628 of 28 papers

TitleStatusHype
Learning atomic forces from uncertainty-calibrated adversarial attacksCode0
Transfer learning for chemically accurate interatomic neural network potentialsCode0
QH9: A Quantum Hamiltonian Prediction Benchmark for QM9 MoleculesCode0
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