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List of works by Jian Liu

A new perspective for nonadiabatic dynamics with phase space mapping models

scientific article published on 01 July 2019

A semiclassical study of the thermal conductivity of low temperature liquids

scientific article published in September 2011

A unified theoretical framework for mapping models for the multi-state Hamiltonian

scientific article published in November 2016

A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics

scientific article

Accelerating <i>Ab Initio</i> Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian

scientific article published in 2022

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories

scientific article published in March 2011

An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions

scientific article published in March 2011

Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field

scientific article published on December 2011

Isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian with only 1-electron interactions

scientific article published in January 2017

Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.

scientific article published in September 2008

Mechanistic Study of Oxygen Reduction at Liquid/Liquid Interfaces by Hybrid Ultramicroelectrodes and Mass Spectrometry

scientific article published on 07 August 2019

Path integral Liouville dynamics for thermal equilibrium systems

scientific article

Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane

scientific article published in January 2016

Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems

scientific article published in March 2018

Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.

scientific article published in October 2009

Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.

scientific article

Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics.

scientific article published in November 2017

Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen

scientific article

Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics ⬇️

scientific article published on May 21, 2011

Unified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular Dynamics

scientific article published on 05 July 2019

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