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Physical Review Letters|December 13, 2006
Quasiparticle corrections to the electronic properties of anion vacancies at GaAs(110) and InP(110)Magnus Hedström, Arno Schindlmayr, Günther Schwarz, et al.Science Advances|November 9, 2019
Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperaturePrashanth S Venkataram, Jan Hermann, Teerit J Vongkovit, et al.The Journal of Chemical Physics|September 6, 2020
Improved description of ligand polarization enhances transferability of ion-ligand interactionsVered Wineman-Fisher, Yasmine Al-Hamdani, Péter R Nagy, et al.Chemical Research in Toxicology|September 10, 2023
Equivariant Graph Neural Networks for Toxicity PredictionJulian Cremer, Leonardo Medrano Sandonas, Alexandre Tkatchenko, et al.The Journal of Physical Chemistry Letters|February 16, 2019
Nonadditivity of the Adsorption Energies of Linear Acenes on Au(111): Molecular Anisotropy and Many-Body EffectsFriedrich Maass, Mohsen Ajdari, Fairoja Cheenicode Kabeer, et al.Nature Communications|January 20, 2021
Dynamical strengthening of covalent and non-covalent molecular interactions by nuclear quantum effects at finite temperatureHuziel E Sauceda, Valentin Vassilev-Galindo, Stefan Chmiela, et al.Proceedings of the National Academy of Sciences of the United States of America|February 13, 2018
Fast and accurate quantum Monte Carlo for molecular crystalsAndrea Zen, Jan Gerit Brandenburg, Jiří Klimeš, et al.Nature Communications|July 19, 2018
Insightful classification of crystal structures using deep learningAngelo Ziletti, Devinder Kumar, Matthias Scheffler, et al.Physical Review Letters|July 13, 2004
Hallmark of perfect grapheneElizabeth J Duplock, Matthias Scheffler, Philip J D LindanPhysical Review Letters|June 13, 2009
Two-step mechanism for low-temperature oxidation of vacancies in grapheneJohan M Carlsson, Felix Hanke, Suljo Linic, et al.Pageof 37