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Physical Review Letters|July 23, 2021
Ultrahigh Convergent Thermal Conductivity of Carbon Nanotubes from Comprehensive Atomistic ModelingGiuseppe Barbalinardo, Zekun Chen, Haikuan Dong, et al.The Journal of Chemical Physics|October 2, 2020
Mn-intercalated MoSe<sub>2</sub> under pressure: Electronic structure and vibrational characterization of a dilute magnetic semiconductorShunda Chen, Virginia L Johnson, Davide Donadio, et al.Journal of Chemical Theory and Computation|June 23, 2016
Toward Hamiltonian Adaptive QM/MM: Accurate Solvent Structures Using Many-Body PotentialsJelle M Boereboom, Raffaello Potestio, Davide Donadio, et al.Physical Review Letters|March 28, 2015
Big data of materials science: critical role of the descriptorLuca M Ghiringhelli, Jan Vybiral, Sergey V Levchenko, et al.ACS Nano|June 5, 2015
Colloidal Nanoparticles for Intermediate Band Solar CellsMárton Vörös, Giulia Galli, Gergely T ZimanyiThe Journal of Physical Chemistry Letters|August 22, 2015
Probing the Structure of Salt Water under Confinement with First-Principles Molecular Dynamics and Theoretical X-ray Absorption SpectroscopyHeather J Kulik, Eric Schwegler, Giulia GalliThe Journal of Chemical Physics|July 23, 2005
The electronic structure of liquid water within density-functional theoryDavid Prendergast, Jeffrey C Grossman, Giulia GalliPhysical Review Letters|October 4, 2005
Growth of carbon nanotubes on metal nanoparticles: a microscopic mechanism from ab initio molecular dynamics simulationsJean-Yves Raty, François Gygi, Giulia GalliChemical Science|June 24, 2021
Machine learning dielectric screening for the simulation of excited state properties of molecules and materialsSijia S Dong, Marco Govoni, Giulia GalliNature Materials|January 10, 2017
Modelling heterogeneous interfaces for solar water splittingTuan Anh Pham, Yuan Ping, Giulia GalliPageof 57