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23 Publications


2021 | Journal Article | LibreCat-ID: 23611
H.-G. Steinrück, “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, p. 174703, 2021, doi: 10.1063/5.0049591.
LibreCat | DOI
 

2021 | Journal Article | LibreCat-ID: 33648
A. Ghasemi and T. Kühne, “Artificial neural networks for the kinetic energy functional of non-interacting fermions,” The Journal of Chemical Physics, vol. 154, no. 7, Art. no. 074107, 2021, doi: 10.1063/5.0037319.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 19501
B. Zhao and U. Manthe, “Non-adiabatic transitions in the reaction of fluorine with methane,” The Journal of Chemical Physics, 2020.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 17386
T. D. Kühne 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, p. 194103, 2020.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 23618
H.-G. Steinrück, C. Cao, G. M. Veith, and M. F. Toney, “Toward quantifying capacity losses due to solid electrolyte interphase evolution in silicon thin film batteries,” The Journal of Chemical Physics, vol. 152, p. 084702, 2020, doi: 10.1063/1.5142643.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 16956
R. S. Chatwell and J. Vrabec, “Bulk viscosity of liquid noble gases,” The Journal of Chemical Physics, 2020.
LibreCat | DOI
 

2020 | Journal Article | LibreCat-ID: 41028
M. A. Naumova 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, Art. no. 214301, 2020, doi: 10.1063/1.5138641.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 21944
F. Nüske, L. Boninsegna, and C. Clementi, “Coarse-graining molecular systems by spectral matching,” The Journal of Chemical Physics, 2019.
LibreCat | DOI
 

2019 | Journal Article | LibreCat-ID: 16955
M. Heinen and J. Vrabec, “Evaporation sampled by stationary molecular dynamics simulation,” The Journal of Chemical Physics, 2019.
LibreCat | DOI
 

2018 | Journal Article | LibreCat-ID: 21942
L. Boninsegna, F. Nüske, and C. Clementi, “Sparse learning of stochastic dynamical equations,” The Journal of Chemical Physics, 2018.
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