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20162025
most citedA Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules

241 citations

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Counting papers with at most 25 authors, so collaboration author lists do not stand in for the people here.

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cs.LG2025

Robust Barycenters of Persistence Diagrams

Keanu Sisouk, Eloi Tanguy, Julie Delon +1

This short paper presents a general approach for computing robust Wasserstein barycenters of persistence diagrams. The classical method consists in computing assignment arithmetic…

cs.LG2025

BondMatcher: H-Bond Stability Analysis in Molecular Systems

Thomas Daniel, Malgorzata Olejniczak, Julien Tierny

This application paper investigates the stability of hydrogen bonds (H-bonds), as characterized by the Quantum Theory of Atoms in Molecules (QTAIM). First, we contribute a database…