citation.cff

cff-version: 1.2.0
message: If you use this software, please cite it as below.
title: Machine-Learning-Accelerated Simulations to Enable Automatic Surface Reconstruction
authors:
  - family-names: Du
    given-names: Xiaochen
  - family-names: Damewood
    given-names: James K.
  - family-names: Lunger
    given-names: Jaclyn R.
  - family-names: Millan
    given-names: Reisel
  - family-names: Yildiz
    given-names: Bilge
  - family-names: Li
    given-names: Lin
  - family-names: {G{\'o}mez-Bombarelli}
    given-names: Rafael
date-released: 2023-11-08
repository-code: https://github.com/learningmatter-mit/surface-sampling
arxiv: https://arxiv.org/abs/2305.07251
doi: 10.1038/s43588-023-00571-7
type: software
keywords:
  [monte carlo, neural network, force field, active learning]
version: 0.1.0 # replace with the version you use
journal: Nature Computational Science