Increasing the Efficiency of Ensemble Molecular Dynamics Simulations with Termination of Unproductive Trajectories Identified at Runtime
- PAR ID:
- 10631991
- Publisher / Repository:
- Journal of Physical Chemistry
- Date Published:
- Journal Name:
- The Journal of Physical Chemistry A
- Volume:
- 129
- Issue:
- 9
- ISSN:
- 1089-5639
- Page Range / eLocation ID:
- 2317 to 2324
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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