DL_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization

Mohamadhosein Nosratjoo, Michael K. Bane, Paul L. A. Popelier

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DOI: 10.1002/jcc.70501
Published: 2026-09-08
Container: Journal of Computational Chemistry
Publisher: Wiley
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1002/jcc.70501,
  title = {DL\_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization},
  author = {Mohamadhosein Nosratjoo and Michael K. Bane and Paul L. A. Popelier},
  year = {2026},
  journal = {Journal of Computational Chemistry},
  doi = {10.1002/jcc.70501},
  url = {https://doi.org/10.1002/jcc.70501}
}

RIS

TY  - JOUR
TI  - DL_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization
AU  - Mohamadhosein Nosratjoo
AU  - Michael K. Bane
AU  - Paul L. A. Popelier
PY  - 2026
JO  - Journal of Computational Chemistry
DO  - 10.1002/jcc.70501
UR  - https://doi.org/10.1002/jcc.70501
ER  -

APA

Nosratjoo, M., Bane, M. K., & Popelier, P. L. A. (2026). DL_FFLUX Refactored: Accelerating Quantum Chemical Topology Simulations With Optimized Parallelization. Journal of Computational Chemistry. https://doi.org/10.1002/jcc.70501

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crossref · retrieved 2026-09-25T01:39:50.348Z