274 citations · 409 across the 17 of their papers we have counts for
3 papers · 1 filter
Data-driven Reduction of Transfer Operators for Particle Clustering Dynamics
Nathalie Wehlitz, Grigorios A. Pavliotis, Christof Schütte +1
We develop an operator-based framework to coarse-grain interacting particle systems that exhibit clustering dynamics. Starting from the particle-based transfer operator, we first c…
Quantitative spectroscopy of single molecule interaction times
Horst-Holger Boltz, Alexei Sirbu, Nina Stelzer +3
Single molecule fluorescence tracking provides information at nm-scale and ms-temporal resolution about the dynamics and interaction of individual molecules in a biological environ…
Grand-canonical-like molecular-dynamics simulations by using an adaptive-resolution technique
Han Wang, Carsten Hartmann, Christof Schütte +1
In this work, we provide a detailed theoretical analysis, supported by numerical tests, of the reliability of the adaptive resolution simulation (AdResS) technique in sampling the…