Lista de obras - Jian Liu - Dominio Público Uruguay

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

artículo científico publicado en 2011

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

artículo científico publicado en 2016

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

artículo científico publicado en 2017

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

artículo científico publicado en 2022

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

artículo científico publicado en 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

artículo científico publicado en 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

artículo científico publicado en 2011

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

artículo científico publicado en 2017

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

artículo científico publicado en 2008

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

artículo científico publicado en 2019

Path integral Liouville dynamics for thermal equilibrium systems

artículo científico publicado en 2014

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

artículo científico publicado en 2016

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

artículo científico publicado en 2018

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

artículo científico publicado en 2009

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

artículo científico publicado en 2007

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

artículo científico publicado en 2017

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

artículo científico publicado en 2008

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

artículo científico publicado el 21 de mayo de 2011

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

artículo científico publicado en 2019

Lista de obras de Jian Liu

A new perspective for nonadiabatic dynamics with phase space mapping models

A semiclassical study of the thermal conductivity of low temperature liquids

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

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

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

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

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

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

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

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

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

Path integral Liouville dynamics for thermal equilibrium systems

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

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

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

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

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

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

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