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Deep potentials for materials science - IOPscience

Webdeep-potential. Deep learning for gravitational potentials, based on a snapshot of well-mixed tracer particles in phase space. The basic idea of this approach is to first model … WebOf particular interest is the inter-atomic potential energy surface (PES). Here we develop Deep Potential - Smooth Edition (DeepPot-SE), an end-to-end machine learning-based PES model, which is able to efficiently represent the PES of a wide variety of systems with the accuracy of ab initio quantum mechanics models. cvc writer

Accelerated Molecular Simulation Using Deep Potential …

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