@misc{KoltaiCiccottiSchuette, author = {Koltai, Peter and Ciccotti, Giovanni and Sch{\"u}tte, Christof}, title = {On metastability and Markov state models for non-stationary molecular dynamics}, series = {The Journal of Chemical Physics}, volume = {174103}, journal = {The Journal of Chemical Physics}, edition = {145}, issn = {1438-0064}, doi = {10.1063/1.4966157}, url = {http://nbn-resolving.de/urn:nbn:de:0297-zib-57869}, abstract = {We utilize the theory of coherent sets to build Markov state models for non- equilibrium molecular dynamical systems. Unlike for systems in equilibrium, "meta- stable" sets in the non-equilibrium case may move as time evolves. We formalize this concept by relying on the theory of coherent sets, based on this we derive finite-time non-stationary Markov state models, and illustrate the concept and its main differences to equilibrium Markov state modeling on simple, one-dimensional examples.}, language = {en} } @article{KoltaiCiccottiSchuette, author = {Koltai, Peter and Ciccotti, Giovanni and Sch{\"u}tte, Christof}, title = {On Markov state models for non-equilibrium molecular dynamics}, series = {The Journal of Chemical Physics}, volume = {145}, journal = {The Journal of Chemical Physics}, number = {174103}, doi = {10.1063/1.4966157}, language = {en} }