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20192023
most citedSingle-model uncertainty quantification in neural network potentials does not consistently outperform model ensembles

94 citations · 131 across the 5 of their papers we have counts for

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cond-mat.soft2019★ 35 cited

Coupling Finite Element Method with Large Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) for Hierarchical Multiscale Simulations

Takahiro Murashima, Shingo Urata, Shaofan Li

In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecula…