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The Journal of Chemical Physics|July 23, 2026
Variational estimation of generator invariant subspacesLuca Donati, Fazil Safarov, Surahit Chewle, et al.Journal of Chemical Theory and Computation|October 10, 2025
Topological Analysis Reveals Multiple Pathways in Molecular DynamicsLuca Donati, Surahit Chewle, Dominik St Pierre, et al.The Journal of Physical Chemistry. A|May 11, 2026
A Generalized NMF-Based Method for Analyzing Time-Resolved Spectroscopic DataElizaveta Kobeleva, Surahit Chewle, Marius Horch, et al.Journal of Chemical Theory and Computation|February 23, 2026
Revealing the Atomistic Mechanism of Rare Events in Molecular DynamicsJakob J Kresse, Alexander Sikorski, Vikram Sunkara, et al.International Journal of Molecular Sciences|July 12, 2025
Investigating Endogenous Opioids Unravels the Mechanisms Behind Opioid-Induced Constipation, a Mathematical Modeling ApproachCelvic Coomber, Surahit Chewle, Christopher Secker, et al.The Journal of Chemical Physics|December 22, 2022
Assessing transition rates as functions of environmental variablesLuca Donati, Marcus WeberJournal of Physics. Condensed Matter : an Institute of Physics Journal|December 22, 2020
Markov models from the square root approximation of the Fokker-Planck equation: calculating the grid-dependent fluxLuca Donati, Marcus Weber, Bettina G KellerThe Journal of Chemical Physics|March 14, 2024
Tensor-SqRA: Modeling the transition rates of interacting molecular systems in terms of potential energiesAlexander Sikorski, Amir Niknejad, Marcus Weber, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 8, 2018
Estimation of the infinitesimal generator by square-root approximationLuca Donati, Martin Heida, Bettina G Keller, et al.The Journal of Chemical Physics|August 24, 2018
Girsanov reweighting for metadynamics simulationsLuca Donati, Bettina G KellerPageof 7