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Journal of Chemical Theory and Computation|May 16, 2018
Selected-Nuclei Method for the Computation of Hyperfine Coupling Constants within Second-Order Møller-Plesset Perturbation TheorySigurd Vogler, Gökcen Savasci, Martin Ludwig, et al.Journal of the American Chemical Society|October 2, 2009
Effects of terminal functional groups on the stability of the polyproline II structure: a combined experimental and theoretical studyMichael Kuemin, Sabine Schweizer, Christian Ochsenfeld, et al.Journal of Chemical Theory and Computation|October 21, 2022
Fully Automated Generation of Prebiotically Relevant Reaction Networks from Optimized Nanoreactor SimulationsAlexandra Stan, Beatriz von der Esch, Christian OchsenfeldJournal of Chemical Theory and Computation|November 26, 2019
Nonadiabatic Molecular Dynamics on Graphics Processing Units: Performance and Application to Rotary Molecular MotorsLaurens D M Peters, Jörg Kussmann, Christian OchsenfeldThe Journal of Chemical Physics|July 15, 2022
Statistically optimal analysis of the extended-system adaptive biasing force (eABF) methodAndreas Hulm, Johannes C B Dietschreit, Christian OchsenfeldThe Journal of Chemical Physics|July 17, 2017
Low-scaling first-order properties within second-order Møller-Plesset perturbation theory using Cholesky decomposed density matricesSigurd Vogler, Martin Ludwig, Marina Maurer, et al.Journal of Chemical Theory and Computation|October 26, 2017
Efficient and Accurate Born-Oppenheimer Molecular Dynamics for Large Molecular SystemsLaurens D M Peters, Jörg Kussmann, Christian OchsenfeldThe Journal of Physical Chemistry Letters|May 7, 2020
Combining Graphics Processing Units, Simplified Time-Dependent Density Functional Theory, and Finite-Difference Couplings to Accelerate Nonadiabatic Molecular DynamicsLaurens D M Peters, Jörg Kussmann, Christian OchsenfeldJournal of Computational Chemistry|November 14, 2007
Linear-scaling Cholesky decompositionSabine Schweizer, Jörg Kussmann, Bernd Doser, et al.The Journal of Physical Chemistry. B|May 2, 2019
Reaction Mechanism for the N-Glycosidic Bond Cleavage of 5-Formylcytosine by Thymine DNA GlycosylaseEli Naydenova, Johannes C B Dietschreit, Christian OchsenfeldPageof 27