Concepedia

A transferable active-learning strategy for reactive molecular force fields

Tom A. Young, Tristan Johnston-Wood, Volker L. Deringer, Fernanda Duarte

Chemical Science · 2021 · 80 citations · 97 references

DOIFull text

Open access

Concepts

Abstract

2 reaction) in explicit solvent. The method provides a route to routinely generating machine-learned force fields for reactive molecular systems.

References

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