[HTML][HTML] Topological graphs: a review of some of our achievements and perspectives in physical chemistry and homogeneous catalysis

S Bougueroua, Y Aboulfath… - Comptes …, 2024 - comptes-rendus.academie-sciences …
This paper reviews some of our developments in algorithmic graph theory, with some
applications in physical chemistry and catalysis. Two levels of granularity in the topological …

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

S Bougueroua, AA Kolganov, C Helain… - Physical Chemistry …, 2025 - pubs.rsc.org
Some of our recent developments and applications of algorithmic graph theory for extracting
the physical and chemical properties of materials from molecular dynamics simulations are …

Maximizing minimum cycle bases intersection

D Watel, MA Weisser, D Barth, Y Aboulfath… - arxiv preprint arxiv …, 2024 - arxiv.org
We address a specific case of the matroid intersection problem: given a set of graphs
sharing the same set of vertices, select a minimum cycle basis for each graph to maximize …

Algorithmes de graphes pour l'analyse des conformations de dynamique moléculaire

Y Aboulfath - 2024 - theses.hal.science
La thèse présente une nouvelle méthode pour l'analyse et la comparaison de trajectoires de
dynamique moléculaire basée sur l'algorithmique de graphes. Nous considérons une …

Maximizing minimum cycle bases intersection

Y Aboulfath, D Watel, MA Weisser, T Mautor… - International Workshop …, 2024 - Springer
We address a specific case of the matroid intersection problem: given a set of graphs
sharing the same set of vertices, select a minimum cycle basis for each graph to maximize …