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23 Publications
2021 | Journal Article | LibreCat-ID: 23611
@article{Steinrück_2021, title={Modeling cyclic voltammetry during solid electrolyte interphase formation: Baseline scenario of a dynamically evolving tunneling barrier resulting from a homogeneous single-phase insulating film}, volume={154}, DOI={10.1063/5.0049591}, journal={The Journal of Chemical Physics}, author={Steinrück, Hans-Georg}, year={2021}, pages={174703} }
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33648
@article{Ghasemi_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} }
LibreCat
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2020 | Journal Article | LibreCat-ID: 19501
@article{Zhao_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} }
LibreCat
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2020 | Journal Article | LibreCat-ID: 17386
@article{Kühne_Iannuzzi_Del Ben_Rybkin_Seewald_Stein_Laino_Khaliullin_Schütt_Schiffmann_et al._2020, title={CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations}, volume={152}, DOI={10.1063/5.0007045}, number={19}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Kühne, Thomas D. and Iannuzzi, Marcella and Del Ben, Mauro and Rybkin, Vladimir V. and Seewald, Patrick and Stein, Frederick and Laino, Teodoro and Khaliullin, Rustam Z. and Schütt, Ole and Schiffmann, Florian and et al.}, year={2020}, pages={194103} }
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2020 | Journal Article | LibreCat-ID: 23618
@article{Steinrück_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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2020 | Journal Article | LibreCat-ID: 16956
@article{Chatwell_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} }
LibreCat
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2020 | Journal Article | LibreCat-ID: 41028
@article{Naumova_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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2019 | Journal Article | LibreCat-ID: 21944
@article{Nüske_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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2019 | Journal Article | LibreCat-ID: 16955
@article{Heinen_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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2018 | Journal Article | LibreCat-ID: 21942
@article{Boninsegna_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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2018 | Journal Article | LibreCat-ID: 21943
@article{Hruska_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} }
LibreCat
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2018 | Journal Article | LibreCat-ID: 41834
@article{Hansch_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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2018 | Journal Article | LibreCat-ID: 41832
@article{Urbanski_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} }
LibreCat
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2018 | Journal Article | LibreCat-ID: 41833
@article{Hansch_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} }
LibreCat
| DOI
2017 | Journal Article | LibreCat-ID: 21938
@article{Nüske_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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2017 | Journal Article | LibreCat-ID: 21939
@article{Wu_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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2016 | Journal Article | LibreCat-ID: 21937
@article{Nüske_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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2014 | Journal Article | LibreCat-ID: 10035
@article{Li_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} }
LibreCat
| DOI
2007 | Journal Article | LibreCat-ID: 42000
@article{Goerigk_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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2005 | Journal Article | LibreCat-ID: 42015
@article{Kramer_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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2002 | Journal Article | LibreCat-ID: 35362
@article{Lukaschek_Kothe_Schmidt_Gomes_Polimeno_2002, title={Evaluation of the viscoelastic properties of a nematic dimer by cone-and-plate rheo-nuclear magnetic resonance spectroscopy and comparison with Leslie–Ericksen theory}, volume={117}, DOI={10.1063/1.1497161}, number={9}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Lukaschek, Michail and Kothe, Gerd and Schmidt, Claudia and Gomes, Alexandre E. and Polimeno, Antonino}, year={2002}, pages={4550–4556} }
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2002 | Journal Article | LibreCat-ID: 39783
@article{Huser_Lacoste_Heinzelmann_Kitzerow_2002, title={Scanning near-field optical microscopy of cholesteric liquid crystals}, volume={108}, DOI={10.1063/1.476224}, number={18}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Huser, Thomas and Lacoste, Thilo and Heinzelmann, Harry and Kitzerow, Heinz-Siegfried}, year={2002}, pages={7876–7880} }
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1999 | Journal Article | LibreCat-ID: 35367
@article{Winterhalter_Maier_Grabowski_Honerkamp_Müller_Schmidt_1999, title={Determination of orientational distributions from 2H NMR data by a regularization method}, volume={110}, DOI={10.1063/1.478285}, number={8}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Winterhalter, J. and Maier, D. and Grabowski, D. A. and Honerkamp, J. and Müller, S. and Schmidt, Claudia}, year={1999}, pages={4035–4046} }
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