Sana Bougueroua

5PUBLICATIONS
12CO-AUTHORS
Surface water hydrologyChemical thermodynamics and energeticsComputational chemistryStatistical mechanics in chemistryNonlinear optics and spectroscopy
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Publications (5)

|Apr 21, 2026
Reflection on the horizontal and vertical organization of water at oxide interfaces and their SFG vibrational signatures.

|Feb 26, 2025
Unraveling aqueous alcohol freezing: new theoretical tools from graph theory to extract molecular processes in MD simulations.

Rawan AbouHaidar, Sana Bougueroua, Denis Duflot

|Nov 15, 2024
Exploiting graph theory in MD simulations for extracting chemical and physical properties of materials.

Sana Bougueroua, Alexander A Kolganov, Chloé Helain

|Apr 13, 2023
Algorithmic Graph Theory, Reinforcement Learning and Game Theory in MD Simulations: From 3D Structures to Topological 2D-Molecular Graphs (2D-MolGraphs) and Vice Versa.

Sana Bougueroua, Marie Bricage, Ylène Aboulfath

|Apr 27, 2019
Conformational assignment of gas phase peptides and their H-bonded complexes using far-IR/THz: IR-UV ion dip experiment, DFT-MD spectroscopy, and graph theory for mode assignment.

Daria Ruth Galimberti, Sana Bougueroua, Jérôme Mahé

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Frequent Collaborators

5 joint publications

Marie-Pierre Gaigeot

1 joint publications

Daria Ruth Galimberti

1 joint publications

Matteo Tommasini

1 joint publications

Anouk M Rijs