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23 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
| DOI
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
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne, Thomas D., Marcella Iannuzzi, Mauro Del Ben, Vladimir V. Rybkin, Patrick Seewald, Frederick Stein, Teodoro Laino, et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics 152, no. 19 (2020): 194103. https://doi.org/10.1063/5.0007045.
LibreCat
| DOI
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
| DOI
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
| DOI
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
| DOI
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
| DOI
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
| DOI
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
| DOI