INAQS, a Generic Interface for Nonadiabatic QM/MM Dynamics: Design, Implementation, and Validation for GROMACS/Q-CHEM simulations
- Award ID(s):
- 2102071
- NSF-PAR ID:
- 10346956
- Date Published:
- Journal Name:
- Journal of Chemical Theory and Computation
- ISSN:
- 1549-9618
- Format(s):
- Medium: X
- Sponsoring Org:
- National Science Foundation
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