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The Journal of Chemical Physics|July 23, 2004
A first principles simulation of rigid waterMarkus Allesch, Eric Schwegler, François Gygi, et al.Journal of Chemical Theory and Computation|December 1, 2021
Combined First-Principles Calculations of Electron-Electron and Electron-Phonon Self-Energies in Condensed SystemsHan Yang, Marco Govoni, Arpan Kundu, et al.Physical Review Letters|June 13, 2009
Ab initio calculation of van der Waals bonded molecular crystalsDeyu Lu, Yan Li, Dario Rocca, et al.Plos One|March 14, 2013
A functionally relevant tool for the body following spinal cord injuryMariella Pazzaglia, Giulia Galli, Giorgio Scivoletto, et al.Cortex; a Journal Devoted to the Study of the Nervous System and Behavior|December 11, 2012
Available processing resources influence encoding-related brain activity before an eventGiulia Galli, A Dorothea Gebert, Leun J OttenPhysical Chemistry Chemical Physics : PCCP|October 21, 2020
First-principles studies of strongly correlated states in defect spin qubits in diamondHe Ma, Nan Sheng, Marco Govoni, et al.The Journal of Chemical Physics|July 9, 2021
Lessons learned from first-principles calculations of transition metal oxidesHien Vo, Shenli Zhang, Wennie Wang, et al.Proceedings of the National Academy of Sciences of the United States of America|June 20, 2018
Ab initio spectroscopy and ionic conductivity of water under Earth mantle conditionsViktor Rozsa, Ding Pan, Federico Giberti, et al.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.Pageof 57