Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials.

Bougueroua S, Kolganov AA, Helain C, Zens C, Barth D, Pidko EA, Gaigeot MP.

DOI: 10.1039/d4cp02764g
Published: 2025-01-15
Container: Phys Chem Chem Phys
Publisher: Not recorded
Open access: no

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Cite this work

BibTeX

@article{allodium:10.1039/d4cp02764g,
  title = {Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials.},
  author = {Bougueroua S and  Kolganov AA and  Helain C and  Zens C and  Barth D and  Pidko EA and  Gaigeot MP.},
  year = {2025},
  journal = {Phys Chem Chem Phys},
  doi = {10.1039/d4cp02764g},
  url = {https://doi.org/10.1039/d4cp02764g}
}

RIS

TY  - JOUR
TI  - Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials.
AU  - Bougueroua S
AU  -  Kolganov AA
AU  -  Helain C
AU  -  Zens C
AU  -  Barth D
AU  -  Pidko EA
AU  -  Gaigeot MP.
PY  - 2025
JO  - Phys Chem Chem Phys
DO  - 10.1039/d4cp02764g
UR  - https://doi.org/10.1039/d4cp02764g
ER  -

APA

S, B., AA, K., C, H., C, Z., D, B., EA, P., & MP., G. (2025). Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials.. Phys Chem Chem Phys. https://doi.org/10.1039/d4cp02764g

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europe-pmc · retrieved 2026-09-27T01:59:38.626Z
hal · retrieved 2026-09-27T01:59:38.655Z