Local Variational Graph Coarsening for Machine Learning Coarse-Grained Molecular Dynamics Simulations

Soumya Mondal, Subhanu Halder, Debarchan Basu, Franz Görlich, Sandeep Kumar, Tarak Karmakar

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DOI: 10.1021/acs.jctc.6c00825
Published: 2026-09-09
Container: Journal of Chemical Theory and Computation
Publisher: American Chemical Society (ACS)
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c00825,
  title = {Local Variational
Graph Coarsening for Machine Learning
Coarse-Grained Molecular Dynamics Simulations},
  author = {Soumya Mondal and Subhanu Halder and Debarchan Basu and Franz Görlich and Sandeep Kumar and Tarak Karmakar},
  year = {2026},
  journal = {Journal of Chemical Theory
and Computation},
  doi = {10.1021/acs.jctc.6c00825},
  url = {https://doi.org/10.1021/acs.jctc.6c00825}
}

RIS

TY  - JOUR
TI  - Local Variational
Graph Coarsening for Machine Learning
Coarse-Grained Molecular Dynamics Simulations
AU  - Soumya Mondal
AU  - Subhanu Halder
AU  - Debarchan Basu
AU  - Franz Görlich
AU  - Sandeep Kumar
AU  - Tarak Karmakar
PY  - 2026
JO  - Journal of Chemical Theory
and Computation
DO  - 10.1021/acs.jctc.6c00825
UR  - https://doi.org/10.1021/acs.jctc.6c00825
ER  -

APA

Mondal, S., Halder, S., Basu, D., Görlich, F., Kumar, S., & Karmakar, T. (2026). Local Variational Graph Coarsening for Machine Learning Coarse-Grained Molecular Dynamics Simulations. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.6c00825

Source records

crossref · retrieved 2026-11-08T20:56:30.030Z