Optimal Reaction Coordinates: Variational Characterization and Sparse Computation
Author:
Affiliation:
1. Department of Mathematics and Computer Science, Freie Universität Berlin, 14195 Berlin, Germany.
2. Zuse Institute Berlin, D-14195 Berlin, Germany.
Funder
Deutsche Forschungsgemeinschaft
Publisher
Society for Industrial & Applied Mathematics (SIAM)
Subject
Computer Science Applications,General Physics and Astronomy,Ecological Modeling,Modeling and Simulation,General Chemistry
Reference66 articles.
1. Important sampling in high dimensions
2. Fundamental solution and Cauchy problem for a parabolic system with unbounded coefficients
3. Data-driven computation of molecular reaction coordinates
4. Dimensionality Reduction of Complex Metastable Systems via Kernel Embeddings of Transition Manifolds
5. Pseudogenerators of Spatial Transfer Operators
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