Modular integration of MRSF-TDDFT, NAMD, and QM/MM for excited-state dynamics on the OpenQP platform.

Mazaherifar M, Park W, Bonfrate S, Li J, Huix-Rotllant M, Choi CH

DOI: 10.1039/d6fd00056h
Published: 2026 Sep 25
Container: Faraday discussions
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1039/d6fd00056h,
  title = {Modular integration of MRSF-TDDFT, NAMD, and QM/MM for excited-state dynamics on the OpenQP platform.},
  author = {Mazaherifar M and Park W and Bonfrate S and Li J and Huix-Rotllant M and Choi CH},
  year = {2026},
  journal = {Faraday discussions},
  doi = {10.1039/d6fd00056h},
  url = {https://doi.org/10.1039/d6fd00056h}
}

RIS

TY  - JOUR
TI  - Modular integration of MRSF-TDDFT, NAMD, and QM/MM for excited-state dynamics on the OpenQP platform.
AU  - Mazaherifar M
AU  - Park W
AU  - Bonfrate S
AU  - Li J
AU  - Huix-Rotllant M
AU  - Choi CH
PY  - 2026
JO  - Faraday discussions
DO  - 10.1039/d6fd00056h
UR  - https://doi.org/10.1039/d6fd00056h
ER  -

APA

M, M., W, P., S, B., J, L., M, H., & CH, C. (2026). Modular integration of MRSF-TDDFT, NAMD, and QM/MM for excited-state dynamics on the OpenQP platform.. Faraday discussions. https://doi.org/10.1039/d6fd00056h

Source records

pubmed · retrieved 2026-09-26T05:05:39.670Z