Please note that LibreCat no longer supports Internet Explorer versions 8 or 9 (or earlier).
We recommend upgrading to the latest Internet Explorer, Google Chrome, or Firefox.
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, vol. 154, 2021, p. 174703, doi: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, vol. 154, no. 7, 074107, AIP Publishing, 2021, doi: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, 231102, 2020, doi:10.1063/5.0013852.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 17386
Kühne, Thomas D., et al. “CP2K: An Electronic Structure and Molecular Dynamics Software Package - Quickstep: Efficient and Accurate Electronic Structure Calculations.” The Journal of Chemical Physics, vol. 152, no. 19, AIP Publishing, 2020, p. 194103, doi:10.1063/5.0007045.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 23618
Steinrück, Hans-Georg, et al. “Toward Quantifying Capacity Losses Due to Solid Electrolyte Interphase Evolution in Silicon Thin Film Batteries.” The Journal of Chemical Physics, vol. 152, 2020, p. 084702, doi: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, 094503, 2020, doi:10.1063/1.5142364.
LibreCat
| DOI
2020 | Journal Article | LibreCat-ID: 41028
Naumova, Maria A., et al. “Exploring the Light-Induced Dynamics in Solvated Metallogrid Complexes with Femtosecond Pulses across the Electromagnetic Spectrum.” The Journal of Chemical Physics, vol. 152, no. 21, 214301, AIP Publishing, 2020, doi:10.1063/1.5138641.
LibreCat
| DOI
2019 | Journal Article | LibreCat-ID: 21944
Nüske, Feliks, et al. “Coarse-Graining Molecular Systems by Spectral Matching.” The Journal of Chemical Physics, 044116, 2019, doi: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, 044704, 2019, doi:10.1063/1.5111759.
LibreCat
| DOI
2018 | Journal Article | LibreCat-ID: 21942
Boninsegna, Lorenzo, et al. “Sparse Learning of Stochastic Dynamical Equations.” The Journal of Chemical Physics, 241723, 2018, doi:10.1063/1.5018409.
LibreCat
| DOI