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22 Publications
2021 | Journal Article | LibreCat-ID: 23611
Steinrück, Hans-Georg. “Modeling Cyclic Voltammetry during Solid Electrolyte Interphase Formation: Baseline Scenario of a Dynamically Evolving Tunneling Barrier Resulting from a Homogeneous Single-Phase Insulating Film.” The Journal of Chemical Physics 154 (2021): 174703. https://doi.org/10.1063/5.0049591.
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33648
Ghasemi, Alireza, and Thomas Kühne. “Artificial Neural Networks for the Kinetic Energy Functional of Non-Interacting Fermions.” The Journal of Chemical Physics 154, no. 7 (2021). https://doi.org/10.1063/5.0037319.
LibreCat
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2020 | Journal Article | LibreCat-ID: 19501
Zhao, Bin, and Uwe Manthe. “Non-Adiabatic Transitions in the Reaction of Fluorine with Methane.” The Journal of Chemical Physics, 2020. https://doi.org/10.1063/5.0013852.
LibreCat
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2020 | Journal Article | LibreCat-ID: 23618
Steinrück, Hans-Georg, Chuntian Cao, Gabriel M. Veith, and Michael F. Toney. “Toward Quantifying Capacity Losses Due to Solid Electrolyte Interphase Evolution in Silicon Thin Film Batteries.” The Journal of Chemical Physics 152 (2020): 084702. https://doi.org/10.1063/1.5142643.
LibreCat
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2020 | Journal Article | LibreCat-ID: 16956
Chatwell, René Spencer, and Jadran Vrabec. “Bulk Viscosity of Liquid Noble Gases.” The Journal of Chemical Physics, 2020. https://doi.org/10.1063/1.5142364.
LibreCat
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2020 | Journal Article | LibreCat-ID: 41028
Naumova, Maria A., Aleksandr Kalinko, Joanne W. L. Wong, Sol Alvarez Gutierrez, Jie Meng, Mingli Liang, Mohamed Abdellah, et al. “Exploring the Light-Induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses across the Electromagnetic Spectrum.” The Journal of Chemical Physics 152, no. 21 (2020). https://doi.org/10.1063/1.5138641.
LibreCat
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2019 | Journal Article | LibreCat-ID: 21944
Nüske, Feliks, Lorenzo Boninsegna, and Cecilia Clementi. “Coarse-Graining Molecular Systems by Spectral Matching.” The Journal of Chemical Physics, 2019. https://doi.org/10.1063/1.5100131.
LibreCat
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2019 | Journal Article | LibreCat-ID: 16955
Heinen, Matthias, and Jadran Vrabec. “Evaporation Sampled by Stationary Molecular Dynamics Simulation.” The Journal of Chemical Physics, 2019. https://doi.org/10.1063/1.5111759.
LibreCat
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2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, Lorenzo, Feliks Nüske, and Cecilia Clementi. “Sparse Learning of Stochastic Dynamical Equations.” The Journal of Chemical Physics, 2018. https://doi.org/10.1063/1.5018409.
LibreCat
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2018 | Journal Article | LibreCat-ID: 21943
Hruska, Eugen, Jayvee R. Abella, Feliks Nüske, Lydia E. Kavraki, and Cecilia Clementi. “Quantitative Comparison of Adaptive Sampling Methods for Protein Dynamics.” The Journal of Chemical Physics, 2018. https://doi.org/10.1063/1.5053582.
LibreCat
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2018 | Journal Article | LibreCat-ID: 41834
Hansch, Markus, Benjamin Hämisch, Ralf Schweins, Sylvain Prévost, and Klaus Huber. “Liquid-Liquid Phase Separation in Dilute Solutions of Poly(Styrene Sulfonate) with Multivalent Cations: Phase Diagrams, Chain Morphology, and Impact of Temperature.” The Journal of Chemical Physics 148, no. 1 (2018). https://doi.org/10.1063/1.5006618.
LibreCat
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2018 | Journal Article | LibreCat-ID: 41832
Urbanski, Anna, Markus Hansch, Carlos G. Lopez, Ralf Schweins, Yvonne Hertle, Thomas Hellweg, Frank Polzer, and Klaus Huber. “Polyacrylates in the Presence of an Extraordinary Monovalent Cation—Solution Behavior and Metal Nanoparticle Formation.” The Journal of Chemical Physics 149, no. 16 (2018). https://doi.org/10.1063/1.5028182.
LibreCat
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2018 | Journal Article | LibreCat-ID: 41833
Hansch, Markus, Hans Peter Kaub, Sascha Deck, Nico Carl, and Klaus Huber. “Reaction Enthalpy from the Binding of Multivalent Cations to Anionic Polyelectrolytes in Dilute Solutions.” The Journal of Chemical Physics 148, no. 11 (2018). https://doi.org/10.1063/1.5019877.
LibreCat
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2017 | Journal Article | LibreCat-ID: 21938
Nüske, Feliks, Hao Wu, Jan-Hendrik Prinz, Christoph Wehmeyer, Cecilia Clementi, and Frank Noé. “Markov State Models from Short Non-Equilibrium Simulations—Analysis and Correction of Estimation Bias.” The Journal of Chemical Physics, 2017. https://doi.org/10.1063/1.4976518.
LibreCat
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2017 | Journal Article | LibreCat-ID: 21939
Wu, Hao, Feliks Nüske, Fabian Paul, Stefan Klus, Péter Koltai, and Frank Noé. “Variational Koopman Models: Slow Collective Variables and Molecular Kinetics from Short off-Equilibrium Simulations.” The Journal of Chemical Physics, 2017. https://doi.org/10.1063/1.4979344.
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2016 | Journal Article | LibreCat-ID: 21937
Nüske, Feliks, Reinhold Schneider, Francesca Vitalini, and Frank Noé. “Variational Tensor Approach for Approximating the Rare-Event Kinetics of Macromolecular Systems.” The Journal of Chemical Physics, 2016. https://doi.org/10.1063/1.4940774.
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2014 | Journal Article | LibreCat-ID: 10035
Li, Yanlu, Simone Sanna, and Wolf Gero Schmidt. “Modeling Intrinsic Defects in LiNbO3 within the Slater-Janak Transition State Model.” The Journal of Chemical Physics, 2014. https://doi.org/10.1063/1.4883737.
LibreCat
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2007 | Journal Article | LibreCat-ID: 42000
Goerigk, G., Klaus Huber, and R. Schweins. “Probing the Extent of the Sr2+ Ion Condensation to Anionic Polyacrylate Coils: A Quantitative Anomalous Small-Angle x-Ray Scattering Study.” The Journal of Chemical Physics 127, no. 15 (2007). https://doi.org/10.1063/1.2787008.
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2005 | Journal Article | LibreCat-ID: 42015
Kramer, Thomas, Ralf Schweins, and Klaus Huber. “Small-Angle Neutron Scattering of Dilute Polystyrene Chains at the Protein Limit of a Colloid-Polymer Mixture.” The Journal of Chemical Physics 123, no. 1 (2005). https://doi.org/10.1063/1.1946751.
LibreCat
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2002 | Journal Article | LibreCat-ID: 35362
Lukaschek, Michail, Gerd Kothe, Claudia Schmidt, Alexandre E. Gomes, and Antonino Polimeno. “Evaluation of the Viscoelastic Properties of a Nematic Dimer by Cone-and-Plate Rheo-Nuclear Magnetic Resonance Spectroscopy and Comparison with Leslie–Ericksen Theory.” The Journal of Chemical Physics 117, no. 9 (2002): 4550–56. https://doi.org/10.1063/1.1497161.
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