CITATION.cff

cff-version: 1.2.0
message: "If you use this software, please cite it as below."
title: "RLVacDiffSim: Reinforcement learning-driven simulation of vacancy diffusion"
authors:
  - family-names: Chun
    given-names: Hoje
  - family-names: Tang
    given-names: Hao
  - family-names: Xing
    given-names: Bin
  - family-names: Gomez-Bombarelli
    given-names: Rafael
  - family-names: Li
    given-names: Ju
repository-code: "https://github.com/learningmatter-mit/RLVacDiffSim"
abstract: "Code used to train mean-first-passage-time/time-estimator models and run deep-reinforcement-learning-accelerated atomistic simulations of vacancy diffusion."
license: MIT
type: software
version: "1.0.0"