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Nature Communications|September 26, 2023
Engineering the formation of spin-defects from first principlesCunzhi Zhang, Francois Gygi, Giulia Galli
Nature 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 Galli
The Journal of Physical Chemistry Letters|December 21, 2023
Raman Spectra of Electrified Si-Water Interfaces: First-Principles SimulationsZifan Ye, Francois Gygi, Giulia Galli
Journal 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 Galli
The 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.
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