Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space

  1. Shannon, R.J.
  2. Amabilino, S.
  3. O'Connor, M.
  4. Shalishilin, D.V.
  5. Glowacki, D.R.
Journal:
Journal of Chemical Theory and Computation

ISSN: 1549-9626 1549-9618

Year of publication: 2018

Volume: 14

Issue: 9

Pages: 4541-4552

Type: Article

DOI: 10.1021/ACS.JCTC.8B00515 GOOGLE SCHOLAR

Sustainable development goals