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List of works by Liang Shi

Comparison of Linear Response Theory, Projected Initial Maximum Overlap Method, and Molecular Dynamics-Based Vibronic Spectra: The Case of Methylene Blue

scientific article published on 26 April 2022

Determining Partial Atomic Charges for Liquid Water: Assessing Electronic Structure and Charge Models

scientific article published on 06 January 2021

Influence of Electronic Polarization on the Spectral Density

scientific article published on 13 January 2020

Machine learning Frenkel Hamiltonian parameters to accelerate simulations of exciton dynamics

scientific article published on 01 August 2020

Mid-IR spectroscopy of supercritical water: From dilute gas to dense fluid

scientific article published on 01 February 2019

Nonlinear spectroscopy in the condensed phase: The role of Duschinsky rotations and third order cumulant contributions

scientific article published on 01 July 2020

Percolation in supercritical water: Do the Widom and percolation lines coincide?

scientific article published on 01 August 2018

Simulating Energy Transfer in Molecular Systems with Digital Quantum Computers

scientific article published on 22 February 2022

Simulation of Condensed-Phase Spectroscopy with Near-Term Digital Quantum Computers

scientific article published on 16 October 2021

The Enhancement of Interfacial Exciton Dissociation by Energetic Disorder Is a Nonequilibrium Effect.

scientific article published on 12 December 2017

Variational Quantum Simulation of Chemical Dynamics with Quantum Computers

scientific article published on 16 March 2022

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