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Physical Review Letters|February 7, 2003
Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrumP Umari, Xavier Gonze, Alfredo PasquarelloNano Letters|July 30, 2009
Exciton-plasmon States in nanoscale materials: breakdown of the Tamm-Dancoff approximationMyrta Grüning, Andrea Marini, Xavier GonzePhysical Review Letters|November 5, 2004
First-principles study of the electro-optic effect in ferroelectric oxidesMarek Veithen, Xavier Gonze, Philippe GhosezPhysical Chemistry Chemical Physics : PCCP|April 18, 2013
Computer simulations of cluster impacts: effects of the atomic masses of the projectile and targetOscar A Restrepo, Xavier Gonze, Patrick Bertrand, et al.The Journal of Chemical Physics|July 3, 2020
Li diffusion in Si and LiSi: Nuclear quantum effects and anharmonicityVishank Kumar, Davide Di Stefano, Gian-Marco Rignanese, et al.Scientific Reports|August 6, 2017
Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon InteractionYannick Gillet, Stefan Kontur, Matteo Giantomassi, et al.Nature Communications|August 14, 2013
Identification and design principles of low hole effective mass p-type transparent conducting oxidesGeoffroy Hautier, Anna Miglio, Gerbrand Ceder, et al.Advanced Materials (Deerfield Beach, Fla.)|October 16, 2018
Incipient Metals: Functional Materials with a Unique Bonding MechanismMatthias Wuttig, Volker L Deringer, Xavier Gonze, et al.ACS Nano|March 17, 2021
Computational Modeling of 2D Materials under High Pressure and Their Chemical Bonding: Silicene as Possible Field-Effect TransistorChristian Tantardini, Alexander G Kvashnin, Carlo Gatti, et al.Journal of Chemical Theory and Computation|September 13, 2022
Constrained Density Functional Theory: A Potential-Based Self-Consistency ApproachXavier Gonze, Benjamin Seddon, James A Elliott, et al.Pageof 3