Atomic Forces

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

Papers

Showing 26–28 of 28 papers

Title	Date	Tasks	Status
Fast Neural Network Approach for Direct Covariant Forces Prediction in Complex Multi-Element Extended Systems	May 7, 2019	Atomic Forces	—Unverified
Nudged elastic band calculations accelerated with Gaussian process regression	Jun 14, 2017	Atomic Forcesregression	—Unverified
Machine Learning of Accurate Energy-conserving Molecular Force Fields	May 5, 2017	Atomic ForcesBIG-bench Machine Learning	CodeCode Available

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