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22 Publications
2021 | Journal Article | LibreCat-ID: 23611
Steinrück H-G. 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. 2021;154:174703. doi:10.1063/5.0049591
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33648
Ghasemi A, Kühne T. Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics. 2021;154(7). doi:10.1063/5.0037319
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19501
Zhao B, Manthe U. Non-adiabatic transitions in the reaction of fluorine with methane. The Journal of Chemical Physics. 2020. doi:10.1063/5.0013852
LibreCat
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2020 | Journal Article | LibreCat-ID: 23618
Steinrück H-G, Cao C, Veith GM, Toney MF. Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries. The Journal of Chemical Physics. 2020;152:084702. doi:10.1063/1.5142643
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2020 | Journal Article | LibreCat-ID: 16956
Chatwell RS, Vrabec J. Bulk viscosity of liquid noble gases. The Journal of Chemical Physics. 2020. doi:10.1063/1.5142364
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2020 | Journal Article | LibreCat-ID: 41028
Naumova MA, Kalinko A, Wong JWL, et al. Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum. The Journal of Chemical Physics. 2020;152(21). doi:10.1063/1.5138641
LibreCat
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2019 | Journal Article | LibreCat-ID: 21944
Nüske F, Boninsegna L, Clementi C. Coarse-graining molecular systems by spectral matching. The Journal of Chemical Physics. 2019. doi:10.1063/1.5100131
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2019 | Journal Article | LibreCat-ID: 16955
Heinen M, Vrabec J. Evaporation sampled by stationary molecular dynamics simulation. The Journal of Chemical Physics. 2019. doi:10.1063/1.5111759
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2018 | Journal Article | LibreCat-ID: 21942
Boninsegna L, Nüske F, Clementi C. Sparse learning of stochastic dynamical equations. The Journal of Chemical Physics. 2018. doi:10.1063/1.5018409
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2018 | Journal Article | LibreCat-ID: 21943
Hruska E, Abella JR, Nüske F, Kavraki LE, Clementi C. Quantitative comparison of adaptive sampling methods for protein dynamics. The Journal of Chemical Physics. 2018. doi:10.1063/1.5053582
LibreCat
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2018 | Journal Article | LibreCat-ID: 41834
Hansch M, Hämisch B, Schweins R, Prévost S, Huber K. 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. 2018;148(1). doi:10.1063/1.5006618
LibreCat
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2018 | Journal Article | LibreCat-ID: 41832
Urbanski A, Hansch M, Lopez CG, et al. Polyacrylates in the presence of an extraordinary monovalent cation—Solution behavior and metal nanoparticle formation. The Journal of Chemical Physics. 2018;149(16). doi:10.1063/1.5028182
LibreCat
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2018 | Journal Article | LibreCat-ID: 41833
Hansch M, Kaub HP, Deck S, Carl N, Huber K. Reaction enthalpy from the binding of multivalent cations to anionic polyelectrolytes in dilute solutions. The Journal of Chemical Physics. 2018;148(11). doi:10.1063/1.5019877
LibreCat
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2017 | Journal Article | LibreCat-ID: 21938
Nüske F, Wu H, Prinz J-H, Wehmeyer C, Clementi C, Noé F. Markov state models from short non-equilibrium simulations—Analysis and correction of estimation bias. The Journal of Chemical Physics. 2017. doi:10.1063/1.4976518
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2017 | Journal Article | LibreCat-ID: 21939
Wu H, Nüske F, Paul F, Klus S, Koltai P, Noé F. Variational Koopman models: Slow collective variables and molecular kinetics from short off-equilibrium simulations. The Journal of Chemical Physics. 2017. doi:10.1063/1.4979344
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2016 | Journal Article | LibreCat-ID: 21937
Nüske F, Schneider R, Vitalini F, Noé F. Variational tensor approach for approximating the rare-event kinetics of macromolecular systems. The Journal of Chemical Physics. 2016. doi:10.1063/1.4940774
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2014 | Journal Article | LibreCat-ID: 10035
Li Y, Sanna S, Schmidt WG. Modeling intrinsic defects in LiNbO3 within the Slater-Janak transition state model. The Journal of Chemical Physics. 2014. doi:10.1063/1.4883737
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 42000
Goerigk G, Huber K, Schweins R. 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. 2007;127(15). doi:10.1063/1.2787008
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2005 | Journal Article | LibreCat-ID: 42015
Kramer T, Schweins R, Huber K. Small-angle neutron scattering of dilute polystyrene chains at the protein limit of a colloid-polymer mixture. The Journal of Chemical Physics. 2005;123(1). doi:10.1063/1.1946751
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2002 | Journal Article | LibreCat-ID: 35362
Lukaschek M, Kothe G, Schmidt C, Gomes AE, Polimeno A. 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. 2002;117(9):4550-4556. doi:10.1063/1.1497161
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