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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
| DOI
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
| DOI
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} }
LibreCat
| DOI
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} }
LibreCat
| DOI
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
| DOI
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} }
LibreCat
| DOI
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} }
LibreCat
| DOI
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} }
LibreCat
| DOI
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} }
LibreCat
| DOI