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Chemical Science|June 19, 2018
Modeling quantum nuclei with perturbed path integral molecular dynamicsIgor Poltavsky, Alexandre TkatchenkoNature Communications|August 20, 2013
Scaling laws for van der Waals interactions in nanostructured materialsVivekanand V Gobre, Alexandre TkatchenkoThe Journal of Physical Chemistry Letters|August 21, 2015
Seamless and Accurate Modeling of Organic Molecular MaterialsAnthony M Reilly, Alexandre TkatchenkoThe Journal of Chemical Physics|July 19, 2013
Understanding the role of vibrations, exact exchange, and many-body van der Waals interactions in the cohesive properties of molecular crystalsAnthony M Reilly, Alexandre TkatchenkoPhysical Review Letters|February 10, 2023
Casimir Self-Interaction Energy Density of Quantum Electrodynamic FieldsAlexandre Tkatchenko, Dmitry V FedorovChemical Science|August 1, 2017
van der Waals dispersion interactions in molecular materials: beyond pairwise additivityAnthony M Reilly, Alexandre TkatchenkoPhysical Review Letters|August 16, 2014
Role of dispersion interactions in the polymorphism and entropic stabilization of the aspirin crystalAnthony M Reilly, Alexandre TkatchenkoThe Journal of Chemical Physics|January 10, 2019
Understanding non-covalent interactions in larger molecular complexes from first principlesYasmine S Al-Hamdani, Alexandre TkatchenkoJournal of Chemical Theory and Computation|November 20, 2015
Pair-Wise and Many-Body Dispersive Interactions Coupled to an Optimally Tuned Range-Separated Hybrid FunctionalPiyush Agrawal, Alexandre Tkatchenko, Leeor KronikThe Journal of Chemical Physics|December 25, 2016
Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 frameworkXiaofei Liu, Jan Hermann, Alexandre TkatchenkoPageof 37