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23 Publications
2018 | Journal Article | LibreCat-ID: 21943
Quantitative comparison of adaptive sampling methods for protein dynamics
E. Hruska, J.R. Abella, F. Nüske, L.E. Kavraki, C. Clementi, The Journal of Chemical Physics (2018).
LibreCat
| DOI
E. Hruska, J.R. Abella, F. Nüske, L.E. Kavraki, C. Clementi, The Journal of Chemical Physics (2018).
2018 | Journal Article | LibreCat-ID: 41834
Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature
M. Hansch, B. Hämisch, R. Schweins, S. Prévost, K. Huber, The Journal of Chemical Physics 148 (2018).
LibreCat
| DOI
M. Hansch, B. Hämisch, R. Schweins, S. Prévost, K. Huber, The Journal of Chemical Physics 148 (2018).
2018 | Journal Article | LibreCat-ID: 41832
Polyacrylates in the presence of an extraordinary monovalent cation—Solution behavior and metal nanoparticle formation
A. Urbanski, M. Hansch, C.G. Lopez, R. Schweins, Y. Hertle, T. Hellweg, F. Polzer, K. Huber, The Journal of Chemical Physics 149 (2018).
LibreCat
| DOI
A. Urbanski, M. Hansch, C.G. Lopez, R. Schweins, Y. Hertle, T. Hellweg, F. Polzer, K. Huber, The Journal of Chemical Physics 149 (2018).
2018 | Journal Article | LibreCat-ID: 41833
Reaction enthalpy from the binding of multivalent cations to anionic polyelectrolytes in dilute solutions
M. Hansch, H.P. Kaub, S. Deck, N. Carl, K. Huber, The Journal of Chemical Physics 148 (2018).
LibreCat
| DOI
M. Hansch, H.P. Kaub, S. Deck, N. Carl, K. Huber, The Journal of Chemical Physics 148 (2018).
2017 | Journal Article | LibreCat-ID: 21938
Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias
F. Nüske, H. Wu, J.-H. Prinz, C. Wehmeyer, C. Clementi, F. Noé, The Journal of Chemical Physics (2017).
LibreCat
| DOI
F. Nüske, H. Wu, J.-H. Prinz, C. Wehmeyer, C. Clementi, F. Noé, The Journal of Chemical Physics (2017).
2017 | Journal Article | LibreCat-ID: 21939
Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations
H. Wu, F. Nüske, F. Paul, S. Klus, P. Koltai, F. Noé, The Journal of Chemical Physics (2017).
LibreCat
| DOI
H. Wu, F. Nüske, F. Paul, S. Klus, P. Koltai, F. Noé, The Journal of Chemical Physics (2017).
2016 | Journal Article | LibreCat-ID: 21937
Variational tensor approach for approximating the rare-event kinetics of macromolecular systems
F. Nüske, R. Schneider, F. Vitalini, F. Noé, The Journal of Chemical Physics (2016).
LibreCat
| DOI
F. Nüske, R. Schneider, F. Vitalini, F. Noé, The Journal of Chemical Physics (2016).
2014 | Journal Article | LibreCat-ID: 10035
Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model
Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014).
LibreCat
| DOI
Y. Li, S. Sanna, W.G. Schmidt, The Journal of Chemical Physics (2014).
2007 | Journal Article | LibreCat-ID: 42000
Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study
G. Goerigk, K. Huber, R. Schweins, The Journal of Chemical Physics 127 (2007).
LibreCat
| DOI
G. Goerigk, K. Huber, R. Schweins, The Journal of Chemical Physics 127 (2007).
2005 | Journal Article | LibreCat-ID: 42015
Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture
T. Kramer, R. Schweins, K. Huber, The Journal of Chemical Physics 123 (2005).
LibreCat
| DOI
T. Kramer, R. Schweins, K. Huber, The Journal of Chemical Physics 123 (2005).