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Nature Communications|June 6, 2024
Discovery of atomic clock-like spin defects in simple oxides from first principlesJoel Davidsson, Mykyta Onizhuk, Christian Vorwerk, et al.The Journal of Physical Chemistry Letters|March 15, 2024
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional TheoryYu Jin, Mariami Rusishvili, Marco Govoni, et al.The Journal of Chemical Physics|May 2, 2009
Theoretical investigation of methane under pressureLeonardo Spanu, Davide Donadio, Detlef Hohl, et al.Physical Chemistry Chemical Physics : PCCP|April 13, 2022
Quantum simulations of thermally activated delayed fluorescence in an all-organic emitterTommaso Francese, Arpan Kundu, Francois Gygi, et al.Nature Materials|October 31, 2018
The role of defects and excess surface charges at finite temperature for optimizing oxide photoabsorbersMatteo Gerosa, Francois Gygi, Marco Govoni, et al.CNS Spectrums|September 12, 2022
Transcranial direct current stimulation in combination with cognitive training in individuals with mild cognitive impairment: a controlled 3-parallel-arm studyStefano Pallanti, Eleonora Grassi, Helena Knotkova, et al.Proceedings of the National Academy of Sciences of the United States of America|January 25, 2006
Carbon under extreme conditions: phase boundaries and electronic properties from first-principles theoryAlfredo A Correa, Stanimir A Bonev, Giulia GalliNano Letters|December 5, 2023
First-Principles Investigation of Near-Surface Divacancies in Silicon CarbideYizhi Zhu, Victor Wen-Zhe Yu, Giulia GalliPhysical Chemistry Chemical Physics : PCCP|October 13, 2012
Lattice thermal conductivity of semiconducting bulk materials: atomistic simulationsYuping He, Ivana Savić, Davide Donadio, et al.Nano Letters|August 6, 2008
Probing properties of water under confinement: infrared spectraManu Sharma, Davide Donadio, Eric Schwegler, et al.Pageof 41