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[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 …
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
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 …
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 …
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 …
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 …
sharing the same set of vertices, select a minimum cycle basis for each graph to maximize …