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Markov Models of Molecular Kinetics

Guest Editors Edina Rosta and Frank Noé worked in collaboration with JCP Editors Peter Hamm and John Straub on this Special Topic. Markov models are state-of-the-art data-based statistical models applied in this context to calculate the transition rates (molecular kinetics) and equilibrium thermodynamics of molecular conformational configurations of physicochemical systems. We hope you enjoy this snapshot of the field, which has flourished in the last decade and we feel is now ready for a topical collection.

Frank Noé; Edina Rosta
10.1063/1.5134029
Eric R. Beyerle; Marina G. Guenza
10.1063/1.5123513
Erik H. Thiede; Dimitrios Giannakis; Aaron R. Dinner; Jonathan Weare
10.1063/1.5063730
Martin K. Scherer; Brooke E. Husic; Moritz Hoffmann; Fabian Paul; Hao Wu; Frank Noé
10.1063/1.5083040
Bernhard Reuter; Konstantin Fackeldey; Marcus Weber
10.1063/1.5064530
Fabian Paul; Hao Wu; Maximilian Vossel; Bert L. de Groot; Frank Noé
10.1063/1.5083627
Giovanni Pinamonti; Fabian Paul; Frank Noé; Alex Rodriguez; Giovanni Bussi
10.1063/1.5083227
Adam Kells; Zsuzsanna É. Mihálka; Alessia Annibale; Edina Rosta
10.1063/1.5083924
Debayan Chakraborty; David J. Wales
10.1063/1.5070152
Lizhe Zhu; Fu Kit Sheong; Siqin Cao; Song Liu; Ilona C. Unarta; Xuhui Huang
10.1063/1.5082633
Sina Jazani; Ioannis Sgouralis; Steve Pressé
10.1063/1.5083869
Ushnish Sengupta; Martín Carballo-Pacheco; Birgit Strodel
10.1063/1.5083915
Marco Bacci; Amedeo Caflisch; Andreas Vitalis
10.1063/1.5063556
Lin Qin; Christoph Dellago; Ernst Kozeschnik
10.1063/1.5080933
Daniel Nagel; Anna Weber; Benjamin Lickert; Gerhard Stock
10.1063/1.5081767
Irina V. Gopich; Attila Szabo
10.1063/1.5079748
Naoyuki Karasawa; Ayori Mitsutake; Hiroshi Takano
10.1063/1.5083891
Purushottam D. Dixit; Ken A. Dill
10.1063/1.5086681
Alexander M. Berezhkovskii; Attila Szabo
10.1063/1.5079742
Fabian Knoch; Thomas Speck
10.1063/1.5055818
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