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The Journal of Chemical Physics|March 17, 2017
First-principles electrostatic potentials for reliable alignment at interfaces and defectsRavishankar Sundararaman, Yuan PingPhysical Chemistry Chemical Physics : PCCP|October 30, 2015
Solvation effects on the band edge positions of photocatalysts from first principlesYuan Ping, Ravishankar Sundararaman, William A GoddardNano Letters|November 12, 2021
Giant Spin Lifetime Anisotropy and Spin-Valley Locking in Silicene and Germanene from First-Principles Density-Matrix DynamicsJunqing Xu, Hiroyuki Takenaka, Adela Habib, et al.Nature Communications|June 5, 2020
Spin-phonon relaxation from a universal ab initio density-matrix approachJunqing Xu, Adela Habib, Sushant Kumar, et al.Surface Science Reports|July 1, 2021
The electrochemical interface in first-principles calculationsKathleen Schwarz, Ravishankar SundararamanThe Journal of Chemical Physics|April 1, 2023
Solvent effects determine the sign of the charges of maximum entropy and capacitance at silver electrodesRavishankar Sundararaman, Kathleen SchwarzThe Journal of Chemical Physics|March 3, 2017
Evaluating continuum solvation models for the electrode-electrolyte interface: Challenges and strategies for improvementRavishankar Sundararaman, Kathleen SchwarzThe Journal of Chemical Physics|February 16, 2015
The charge-asymmetric nonlocally determined local-electric (CANDLE) solvation modelRavishankar Sundararaman, William A GoddardThe Journal of Chemical Physics|January 9, 2022
Interfacial water asymmetry at ideal electrochemical interfacesAbhishek Shandilya, Kathleen Schwarz, Ravishankar SundararamanNature Communications|January 3, 2024
How spin relaxes and dephases in bulk halide perovskitesJunqing Xu, Kejun Li, Uyen N Huynh, et al.Pageof 88