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23 Publications
2021 | Journal Article | LibreCat-ID: 23611
Steinrück, H.-G. (2021). 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, 174703. https://doi.org/10.1063/5.0049591
LibreCat
| DOI
2021 | Journal Article | LibreCat-ID: 33648
Ghasemi, A., & Kühne, T. (2021). Artificial neural networks for the kinetic energy functional of non-interacting fermions. The Journal of Chemical Physics, 154(7), Article 074107. https://doi.org/10.1063/5.0037319
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 19501
Zhao, B., & Manthe, U. (2020). Non-adiabatic transitions in the reaction of fluorine with methane. The Journal of Chemical Physics. https://doi.org/10.1063/5.0013852
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne, T. D., Iannuzzi, M., Del Ben, M., Rybkin, V. V., Seewald, P., Stein, F., … al., et. (2020). CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations. The Journal of Chemical Physics, 152(19), 194103. https://doi.org/10.1063/5.0007045
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23618
Steinrück, H.-G., Cao, C., Veith, G. M., & Toney, M. F. (2020). Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries. The Journal of Chemical Physics, 152, 084702. https://doi.org/10.1063/1.5142643
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 16956
Chatwell, R. S., & Vrabec, J. (2020). Bulk viscosity of liquid noble gases. The Journal of Chemical Physics. https://doi.org/10.1063/1.5142364
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 41028
Naumova, M. A., Kalinko, A., Wong, J. W. L., Alvarez Gutierrez, S., Meng, J., Liang, M., Abdellah, M., Geng, H., Lin, W., Kubicek, K., Biednov, M., Lima, F., Galler, A., Zalden, P., Checchia, S., Mante, P.-A., Zimara, J., Schwarzer, D., Demeshko, S., … Canton, S. E. (2020). Exploring the light-induced dynamics in solvated metallogrid complexes with femtosecond pulses across the electromagnetic spectrum. The Journal of Chemical Physics, 152(21), Article 214301. https://doi.org/10.1063/1.5138641
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21944
Nüske, F., Boninsegna, L., & Clementi, C. (2019). Coarse-graining molecular systems by spectral matching. The Journal of Chemical Physics. https://doi.org/10.1063/1.5100131
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 16955
Heinen, M., & Vrabec, J. (2019). Evaporation sampled by stationary molecular dynamics simulation. The Journal of Chemical Physics. https://doi.org/10.1063/1.5111759
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, L., Nüske, F., & Clementi, C. (2018). Sparse learning of stochastic dynamical equations. The Journal of Chemical Physics. https://doi.org/10.1063/1.5018409
LibreCat
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