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@articleGhasemi_Kühne_2021, title=Artificial neural networks for the kinetic energy functional of non-interacting fermions, volume=154, DOI=10.1063/5.0037319, number=7074107, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Ghasemi, Alireza and Kühne, Thomas, year=2021 
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@articleZhao_Manthe_2020, title=Non-adiabatic transitions in the reaction of fluorine with methane, DOI=10.1063/5.0013852, number=231102, journal=The Journal of Chemical Physics, author=Zhao, Bin and Manthe, Uwe, year=2020 
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@articleSteinrück_Cao_Veith_Toney_2020, title=Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries, volume=152, DOI=10.1063/1.5142643, journal=The Journal of Chemical Physics, author=Steinrück, Hans-Georg and Cao, Chuntian and Veith, Gabriel M. and Toney, Michael F., year=2020, pages=084702 
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@articleChatwell_Vrabec_2020, title=Bulk viscosity of liquid noble gases, DOI=10.1063/1.5142364, number=094503, journal=The Journal of Chemical Physics, author=Chatwell, René Spencer and Vrabec, Jadran, year=2020 
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@articleNaumova_Kalinko_Wong_Alvarez Gutierrez_Meng_Liang_Abdellah_Geng_Lin_Kubicek_et al._2020, title=Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum, volume=152, DOI=10.1063/1.5138641, number=21214301, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Naumova, Maria A. and Kalinko, Aleksandr and Wong, Joanne W. L. and Alvarez Gutierrez, Sol and Meng, Jie and Liang, Mingli and Abdellah, Mohamed and Geng, Huifang and Lin, Weihua and Kubicek, Katharina and et al., year=2020 
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@articleNüske_Boninsegna_Clementi_2019, title=Coarse-graining molecular systems by spectral matching, DOI=10.1063/1.5100131, number=044116, journal=The Journal of Chemical Physics, author=Nüske, Feliks and Boninsegna, Lorenzo and Clementi, Cecilia, year=2019 
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@articleHeinen_Vrabec_2019, title=Evaporation sampled by stationary molecular dynamics simulation, DOI=10.1063/1.5111759, number=044704, journal=The Journal of Chemical Physics, author=Heinen, Matthias and Vrabec, Jadran, year=2019 
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@articleBoninsegna_Nüske_Clementi_2018, title=Sparse learning of stochastic dynamical equations, DOI=10.1063/1.5018409, number=241723, journal=The Journal of Chemical Physics, author=Boninsegna, Lorenzo and Nüske, Feliks and Clementi, Cecilia, year=2018 
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@articleHruska_Abella_Nüske_Kavraki_Clementi_2018, title=Quantitative comparison of adaptive sampling methods for protein dynamics, DOI=10.1063/1.5053582, number=244119, journal=The Journal of Chemical Physics, author=Hruska, Eugen and Abella, Jayvee R. and Nüske, Feliks and Kavraki, Lydia E. and Clementi, Cecilia, year=2018 
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@articleHansch_Hämisch_Schweins_Prévost_Huber_2018, title=Liquid-liquid phase separation in dilute solutions of poly(styrene sulfonate) with multivalent cations: Phase diagrams, chain morphology, and impact of temperature, volume=148, DOI=10.1063/1.5006618, number=1014901, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Hansch, Markus and Hämisch, Benjamin and Schweins, Ralf and Prévost, Sylvain and Huber, Klaus, year=2018 
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@articleUrbanski_Hansch_Lopez_Schweins_Hertle_Hellweg_Polzer_Huber_2018, title=Polyacrylates in the presence of an extraordinary monovalent cation—Solution behavior and metal nanoparticle formation, volume=149, DOI=10.1063/1.5028182, number=16163318, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Urbanski, Anna and Hansch, Markus and Lopez, Carlos G. and Schweins, Ralf and Hertle, Yvonne and Hellweg, Thomas and Polzer, Frank and Huber, Klaus, year=2018 
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@articleHansch_Kaub_Deck_Carl_Huber_2018, title=Reaction enthalpy from the binding of multivalent cations to anionic polyelectrolytes in dilute solutions, volume=148, DOI=10.1063/1.5019877, number=11114906, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Hansch, Markus and Kaub, Hans Peter and Deck, Sascha and Carl, Nico and Huber, Klaus, year=2018 
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@articleNüske_Wu_Prinz_Wehmeyer_Clementi_Noé_2017, title=Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias, DOI=10.1063/1.4976518, number=094104, journal=The Journal of Chemical Physics, author=Nüske, Feliks and Wu, Hao and Prinz, Jan-Hendrik and Wehmeyer, Christoph and Clementi, Cecilia and Noé, Frank, year=2017 
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@articleWu_Nüske_Paul_Klus_Koltai_Noé_2017, title=Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations, DOI=10.1063/1.4979344, number=154104, journal=The Journal of Chemical Physics, author=Wu, Hao and Nüske, Feliks and Paul, Fabian and Klus, Stefan and Koltai, Péter and Noé, Frank, year=2017 
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@articleNüske_Schneider_Vitalini_Noé_2016, title=Variational tensor approach for approximating the rare-event kinetics of macromolecular systems, DOI=10.1063/1.4940774, number=054105, journal=The Journal of Chemical Physics, author=Nüske, Feliks and Schneider, Reinhold and Vitalini, Francesca and Noé, Frank, year=2016 
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@articleLi_Sanna_Schmidt_2014, title=Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model, DOI=10.1063/1.4883737, number=234113, journal=The Journal of Chemical Physics, author=Li, Yanlu and Sanna, Simone and Schmidt, Wolf Gero, year=2014 
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@articleGoerigk_Huber_Schweins_2007, title=Probing the extent of the Sr2+ ion condensation to anionic polyacrylate coils: A quantitative anomalous small-angle x-ray scattering study, volume=127, DOI=10.1063/1.2787008, number=15154908, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Goerigk, G. and Huber, Klaus and Schweins, R., year=2007 
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@articleKramer_Schweins_Huber_2005, title=Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture, volume=123, DOI=10.1063/1.1946751, number=1014903, journal=The Journal of Chemical Physics, publisher=AIP Publishing, author=Kramer, Thomas and Schweins, Ralf and Huber, Klaus, year=2005 
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