New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves

  1. Polat, H.M.
  2. Salehi, H.S.
  3. Hens, R.
  4. Wasik, D.O.
  5. Rahbari, A.
  6. De Meyer, F.
  7. Houriez, C.
  8. Coquelet, C.
  9. Calero, S.
  10. Dubbeldam, D.
  11. Moultos, O.A.
  12. Vlugt, T.J.H.
Journal:
Journal of Chemical Information and Modeling

ISSN: 1520-5142 1549-9596

Year of publication: 2021

Volume: 61

Issue: 8

Pages: 3752-3757

Type: Article

DOI: 10.1021/ACS.JCIM.1C00652 GOOGLE SCHOLAR lock_openOpen access editor