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Journal of Chemical Theory and Computation|November 25, 2015
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density FunctionalsNoa Marom, Alexandre Tkatchenko, Mariana Rossi, et al.Physical Review Letters|November 24, 2011
Hydrogen bonds and van der waals forces in ice at ambient and high pressuresBiswajit Santra, Jiří Klimeš, Dario Alfè, et al.The Journal of Chemical Physics|October 29, 2013
On the accuracy of van der Waals inclusive density-functional theory exchange-correlation functionals for ice at ambient and high pressuresBiswajit Santra, Jirí Klimes, Alexandre Tkatchenko, et al.The Journal of Physical Chemistry Letters|August 20, 2015
Toward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111)Wei Liu, Aditya Savara, Xinguo Ren, et al.Journal of Chemical Theory and Computation|November 20, 2015
Assessment and Validation of Machine Learning Methods for Predicting Molecular Atomization EnergiesKatja Hansen, Grégoire Montavon, Franziska Biegler, et al.The Journal of Physical Chemistry Letters|July 9, 2021
Machine Learning Force Fields: Recent Advances and Remaining ChallengesIgor Poltavsky, Alexandre TkatchenkoAccounts of Chemical Research|June 6, 2014
Understanding molecular crystals with dispersion-inclusive density functional theory: pairwise corrections and beyondLeeor Kronik, Alexandre TkatchenkoNature Communications|February 15, 2025
Non-local interactions determine local structure and lithium diffusion in solid electrolytesSwastika Banerjee, Alexandre TkatchenkoJournal of Chemical Theory and Computation|August 29, 2024
van der Waals Radii of Free and Bonded Atoms from Hydrogen (Z = 1) to Oganesson (Z = 118)Jorge Charry, Alexandre TkatchenkoThe Journal of Physical Chemistry. B|July 21, 2006
Unequal-sphere packing model for simulation of the uniaxially compressed iodine adlayer on Au(111)Alexandre Tkatchenko, Nikola BatinaPageof 37