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Journal of Chemical Theory and Computation|April 3, 2020
Gauge Fixing for Heat-Transport SimulationsAris Marcolongo, Loris Ercole, Stefano BaroniScientific Reports|November 22, 2017
Accurate thermal conductivities from optimally short molecular dynamics simulationsLoris Ercole, Aris Marcolongo, Stefano BaroniPhysical Review Letters|July 27, 2019
Theory and Numerical Simulation of Heat Transport in Multicomponent SystemsRiccardo Bertossa, Federico Grasselli, Loris Ercole, et al.Energy & Environmental Science|May 8, 2026
Novel fast Li-ion conductors for solid-state electrolytes from first-principlesTushar Singh Thakur, Loris Ercole, Nicola MarzariThe Journal of Chemical Physics|January 2, 2026
The nuts and bolts of gauge invariance of heat transportStefano BaroniChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|September 7, 2005
Computer simulation of quantum melting in hydrogen clustersStefano Baroni, Saverio MoroniJournal of Chemical Theory and Computation|October 12, 2023
Seebeck Coefficient of Liquid Water from Equilibrium Molecular DynamicsEnrico Drigo, Stefano BaroniThe European Physical Journal. B|November 15, 2021
Invariance principles in the theory and computation of transport coefficientsFederico Grasselli, Stefano BaroniThe Journal of Physical Chemistry Letters|July 28, 2025
How Salt Solvation Slows Water Dynamics While Blue-Shifting Its Dielectric SpectrumFlorian Pabst, Stefano BaroniPhysical Review. E|March 19, 2025
Glassy dynamics in a glass-forming liquid: A first-principles study of tolueneFlorian Pabst, Stefano BaroniPageof 14