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Atomic Forces

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

Papers

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Showing 26–28 of 28 papers

TitleStatusHype
ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations—0
Graph-Convolutional Deep Learning to Identify Optimized Molecular Configurations—0
A Heterogeneous Parallel Non-von Neumann Architecture System for Accurate and Efficient Machine Learning Molecular Dynamics—0
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