about
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.Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation.Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation.Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum.An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions.Two more approaches for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics.A semiclassical study of the thermal conductivity of low temperature liquids.An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories.Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen.Stationary state distribution and efficiency analysis of the Langevin equation via real or virtual dynamics.A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics.Isomorphism between the multi-state Hamiltonian and the second-quantized many-electron Hamiltonian with only 1-electron interactions.A unified theoretical framework for mapping models for the multi-state Hamiltonian.Path integral Liouville dynamics: Applications to infrared spectra of OH, water, ammonia, and methane.Path integral molecular dynamics for exact quantum statistics of multi-electronic-state systems.Path integral Liouville dynamics for thermal equilibrium systems.A new perspective for nonadiabatic dynamics with phase space mapping modelsUnified Efficient Thermostat Scheme for the Canonical Ensemble with Holonomic or Isokinetic Constraints via Molecular DynamicsMechanistic Study of Oxygen Reduction at Liquid/Liquid Interfaces by Hybrid Ultramicroelectrodes and Mass Spectrometry
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P50
description
researcher ORCID: 0000-0002-2906-5858
@en
name
Jian Liu
@ast
Jian Liu
@en
Jian Liu
@es
Jian Liu
@nl
Jian Liu
@sl
type
label
Jian Liu
@ast
Jian Liu
@en
Jian Liu
@es
Jian Liu
@nl
Jian Liu
@sl
prefLabel
Jian Liu
@ast
Jian Liu
@en
Jian Liu
@es
Jian Liu
@nl
Jian Liu
@sl
P108
P1053
B-2274-2012
P106
P1153
56206572300
P2456
P31
P3829
P496
0000-0002-2906-5858