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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|December 20, 2023
Diffusion and Coalescence of Phosphorene Monovacancies Studied Using High-Dimensional Neural Network PotentialsLukáš Kývala, Andrea Angeletti, Cesare Franchini, et al.
ACS Omega|September 9, 2020
Catalytic Mechanism of Processive GlfT2: Transition Path Sampling Investigation of Substrate TranslocationPavel Janoš, Igor Tvaroška, Christoph Dellago, et al.
The Journal of Chemical Physics|May 8, 2025
Learning mappings between equilibrium states of liquid systems using normalizing flowsAlessandro Coretti, Sebastian Falkner, Phillip L Geissler, et al.
The Journal of Chemical Physics|February 8, 2006
Equilibrium free energies from fast-switching trajectories with large time stepsWolfgang Lechner, Harald Oberhofer, Christoph Dellago, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|February 4, 2014
Self-organized defect strings in two-dimensional crystalsWolfgang Lechner, David Polster, Georg Maret, et al.
The Journal of Chemical Physics|December 9, 2009
Mechanism of alkane dehydrogenation catalyzed by acidic zeolites: Ab initio transition path samplingTomás Bucko, Lubomir Benco, Orest Dubay, et al.
Bioinformatics (Oxford, England)|June 23, 2026
Introducing non-enzymatic crosslinks into atomistic simulations of collagen fibrilsGuido Giannetti, Justin Pils, Frauke Gräter, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|January 15, 2011
Time-reversal symmetry and covariant Lyapunov vectors for simple particle models in and out of thermal equilibriumHadrien Bosetti, Harald A Posch, Christoph Dellago, et al.
Annual Review of Physical Chemistry|April 25, 2002
Transition path sampling: throwing ropes over rough mountain passes, in the darkPeter G Bolhuis, David Chandler, Christoph Dellago, et al.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics|April 15, 2015
Entropy and kinetics of point defects in two-dimensional dipolar crystalsWolfgang Lechner, David Polster, Georg Maret, et al.
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