1 citations · 1 across the 4 of their papers we have counts for
Showing physics.chem-phShow all
2 papers · 1 filter
physics.chem-ph2026
Curvature-Aware Flow Matching for Molecular Structure Generation
Samir Darouich, Juliane Geisler, Jacob W. Toney +4
Generative models produce three-dimensional molecular structures with high geometric accuracy, yet they are trained on distributions of atomic coordinates without explicit access t…
physics.chem-ph2025★ 1 cited
Adaptive Transition State Refinement with Learned Equilibrium Flows
Samir Darouich, Vinh Tong, Tanja Bien +2
Identifying transition states (TSs), the high-energy configurations that molecules pass through during chemical reactions, is essential for understanding and designing chemical pro…