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Journal of Computational Chemistry|September 1, 2012
Configuration space partitioning and matrix buildup scaling for the vibrational configuration interaction methodAndriy Samsonyuk, Christoph ScheurerJournal of Computational Chemistry|April 9, 2013
The adaptive hierarchical expansion of the kinetic energy operatorDaniel Strobusch, Mathias Nest, Christoph ScheurerThe Journal of Chemical Physics|October 22, 2020
Formation and stability of small polarons at the lithium-terminated Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub> (LTO) (111) surfaceMatthias Kick, Christoph Scheurer, Harald OberhoferChemsuschem|March 16, 2022
Epitaxial Core-Shell Oxide Nanoparticles: First-Principles Evidence for Increased Activity and Stability of Rutile Catalysts for Acidic Oxygen EvolutionYonghyuk Lee, Christoph Scheurer, Karsten ReuterNanomaterials (Basel, Switzerland)|September 9, 2022
Exploiting Nanoscale Complexion in LATP Solid-State Electrolyte via Interfacial Mg<sup>2+</sup> DopingSina Stegmaier, Karsten Reuter, Christoph ScheurerNano Letters|May 18, 2017
Implications of Occupational Disorder on Ion Mobility in Li<sub>4</sub>Ti<sub>5</sub>O<sub>12</sub> Battery MaterialsHendrik H Heenen, Christoph Scheurer, Karsten ReuterThe Journal of Chemical Physics|March 19, 2025
Pareto-based optimization of sparse dynamical systemsGianmarco Ducci, Maryke Kouyate, Karsten Reuter, et al.The Journal of Physical Chemistry. B|August 24, 2017
Benchmarks and Dielectric Constants for Reparametrized OPLS and Polarizable Force Field Models of Chlorinated HydrocarbonsZhu Liu, Jakob Timmermann, Karsten Reuter, et al.Physical Chemistry Chemical Physics : PCCP|November 8, 2012
Hydrogen bonding characteristics of 2-pyrrolidinone: a joint experimental and theoretical studyKiran Sankar Maiti, Andriy Samsonyuk, Christoph Scheurer, et al.Journal of Biomolecular NMR|January 5, 2005
Estimates of methyl 13C and 1H CSA values (Deltasigma) in proteins from cross-correlated spin relaxationVitali Tugarinov, Christoph Scheurer, Rafael Brüschweiler, et al.Pageof 5