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Nature Communications|September 26, 2023
Engineering the formation of spin-defects from first principlesCunzhi Zhang, Francois Gygi, Giulia GalliNature Communications|June 18, 2020
Dissociation of salts in water under pressureCunzhi Zhang, Federico Giberti, Emre Sevgen, et al.Physical Review Letters|December 21, 2011
Tailored nanoheterojunctions for optimized light emissionTianshu Li, Francois Gygi, Giulia GalliThe Journal of Physical Chemistry Letters|December 21, 2023
Raman Spectra of Electrified Si-Water Interfaces: First-Principles SimulationsZifan Ye, Francois Gygi, Giulia GalliJournal of Chemical Theory and Computation|April 23, 2026
Characterizing Defect Dynamics in Silicon Carbide Using Symmetry-Adapted Collective Variables and Machine Learning Interatomic PotentialsSoumajit Dutta, Cunzhi Zhang, Gustavo Perez Lemus, 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.Journal of Chemical Theory and Computation|December 7, 2018
A Finite-Field Approach for GW Calculations beyond the Random Phase ApproximationHe Ma, Marco Govoni, Francois Gygi, et al.Faraday Discussions|May 5, 2022
Photoelectron spectra of water and simple aqueous solutions at extreme conditionsZifan Ye, Cunzhi Zhang, Giulia GalliThe Journal of Chemical Physics|September 9, 2004
Towards an assessment of the accuracy of density functional theory for first principles simulations of water. IIEric Schwegler, Jeffrey C Grossman, Francois Gygi, et al.Pageof 37