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The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|March 19, 2025
Correlating Optical and Structural Properties of CO on Transition Metal SurfacesMai-Anh Ha, Dimitar Pashov, Mark van SchilfgaardePhysical Review Letters|July 1, 2020
Controlling T_{c} through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron ArsenidesSwagata Acharya, Dimitar Pashov, Francois Jamet, et al.Nature Communications|September 9, 2023
A theory for colors of strongly correlated electronic systemsSwagata Acharya, Dimitar Pashov, Cedric Weber, et al.Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|November 7, 2025
Deconstruction of the Anisotropic Magnetic Interactions from Spin-Entangled Optical Excitations in van der Waals AntiferromagnetsDipankar Jana, Swagata Acharya, Milan Orlita, et al.Nature|May 13, 2026
Mesoscale atomic engineering in a crystal latticeJulian Klein, Kevin M Roccapriore, Mads Weile, et al.Nature Communications|January 17, 2026
Distinct magneto-optical response of Frenkel and Wannier excitons in CrSBrMaciej Śmiertka, Michał Rygała, Katarzyna Posmyk, et al.Journal of Chemical Theory and Computation|May 11, 2016
Oxygen Vacancies of Anatase(101): Extreme Sensitivity to the Density Functional Theory MethodMai-Anh Ha, Anastassia N AlexandrovaJournal of Chemical Theory and Computation|November 18, 2015
AFFCK: Adaptive Force-Field-Assisted ab Initio Coalescence Kick Method for Global Minimum SearchHuanchen Zhai, Mai-Anh Ha, Anastassia N AlexandrovaThe Journal of Chemical Physics|August 27, 2005
Density-functional calculation of CeO2 surfaces and prediction of effects of oxygen partial pressure and temperature on stabilitiesYong Jiang, James B Adams, Mark van SchilfgaardePhysical Review Letters|April 12, 2006
Ab initio prediction of conduction band spin splitting in zinc blende semiconductorsAthanasios N Chantis, Mark van Schilfgaarde, Takao KotaniPageof 5