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Journal of Chemical Theory and Computation|September 20, 2022
Computational Protocol to Evaluate Electron-Phonon Interactions Within Density Matrix Perturbation TheoryHan Yang, Marco Govoni, Arpan Kundu, et al.Journal of Chemical Theory and Computation|December 1, 2021
Combined First-Principles Calculations of Electron-Electron and Electron-Phonon Self-Energies in Condensed SystemsHan Yang, Marco Govoni, Arpan Kundu, et al.Physical Chemistry Chemical Physics : PCCP|October 21, 2020
First-principles studies of strongly correlated states in defect spin qubits in diamondHe Ma, Nan Sheng, Marco Govoni, et al.The Journal of Physical Chemistry Letters|March 15, 2024
Self-Trapped Excitons in Metal-Halide Perovskites Investigated by Time-Dependent Density Functional TheoryYu Jin, Mariami Rusishvili, Marco Govoni, et al.Journal of Chemical Theory and Computation|June 1, 2022
Green's Function Formulation of Quantum Defect Embedding TheoryNan Sheng, Christian Vorwerk, 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.Journal of Chemical Theory and Computation|June 23, 2016
Implementation and Validation of Fully Relativistic GW Calculations: Spin-Orbit Coupling in Molecules, Nanocrystals, and SolidsPeter Scherpelz, Marco Govoni, Ikutaro Hamada, et al.Journal of Chemical Theory and Computation|February 15, 2023
Quantum Simulations of Fermionic Hamiltonians with Efficient Encoding and Ansatz SchemesBenchen Huang, Nan Sheng, Marco Govoni, et al.Journal of Chemical Theory and Computation|May 25, 2017
Performance and Self-Consistency of the Generalized Dielectric Dependent Hybrid FunctionalNicholas P Brawand, Marco Govoni, Márton Vörös, et al.Nature Computational Science|January 4, 2024
Quantum embedding theories to simulate condensed systems on quantum computersChristian Vorwerk, Nan Sheng, Marco Govoni, et al.Pageof 40