List of works - Jianzhong Wu

A GPU implementation of classical density functional theory for rapid prediction of gas adsorption in nanoporous materials

scientific article published on 01 August 2020

A Site Density Functional Theory for Water: Application to Solvation of Amino Acid Side Chains

scientific article published on 28 March 2013

A Thermodynamic Model for Genome Packaging in Hepatitis B Virus

scientific article

A bridge-functional-based classical mapping method for predicting the correlation functions of uniform electron gases at finite temperature

scientific article published in February 2014

A classical density functional theory for interfacial layering of ionic liquids

A comprehensive analysis of the BET area for nanoporous materials

A contact-corrected density functional theory for electrolytes at an interface

scientific article published in March 2014

A density-functional theory for bulk and inhomogeneous Lennard-Jones fluids from the energy route

A fundamental-measure theory for inhomogeneous associating fluids

A hybrid method for predicting the microstructure of polymers with complex architecture: combination of single-chain simulation with density functional theory.

scientific article

A hybrid theoretical method for predicting electrokinetic energy conversion in nanochannels

scientific article published on 17 April 2020

A liquid-state theory for electron correlation functions and thermodynamics

A modified fundamental measure theory for spherical particles in microchannels

A molecular theory for optimal blue energy extraction by electrical double layer expansion.

scientific article published on 27 August 2015

A molecular theory for predicting the thermodynamic efficiency of electrokinetic energy conversion in slit nanochannels.

scientific article published in February 2018

A molecular thermodynamic model for the stability of hepatitis B capsids

scientific article published on June 2014

A new exchange-correlation functional free of delocalization and static correlation errors

scientific article published in August 2014

A new perturbation method for electrolyte solutions based on MSA

A perturbative density functional theory for square-well fluids

scientific article published in May 2011

A theoretical model for the dynamic structure of hepatitis B nucleocapsid

scientific article published on 15 November 2011

A theoretical study for nanoparticle partitioning in the lamellae of diblock copolymers

scientific article published in February 2008

A theoretical study of SRPK interaction with the flexible domains of hepatitis B capsids

scientific article

A theoretical study of colloidal forces near amphiphilic polymer brushes

A theoretical study on the morphological phase diagram of supported lipid bilayers

scientific article published on 19 June 2017

An efficient method for accurate evaluation of the site–site direct correlation functions of molecular fluids

An improved classical mapping method for homogeneous electron gases at finite temperature

scientific article published in August 2014

Anti-Icing Superhydrophobic Coatings

scientific article published on 01 November 2009

Application of Density Functional Theory To Study the Double Layer of an Electrolyte with an Explicit Dimer Model for the Solvent

article

Application of the new perturbation method to predict densities of single electrolyte aqueous solutions

Asphaltene precipitation in crude oils: Theory and experiments

Assembly of supertetrahedral T5 copper-indium sulfide clusters into a super-supertetrahedron of infinite order

scientific article published in March 2010

Can ionophobic nanopores enhance the energy storage capacity of electric-double-layer capacitors containing nonaqueous electrolytes?

scientific article published on 22 August 2016

Capacitive Energy Extraction by Few-Layer Graphene Electrodes

Classical density functional theory for methane adsorption in metal-organic framework materials

Cluster formation and bulk phase behavior of colloidal dispersions

scientific article published on 10 August 2009

Colossal magnetotransport phenomena due to phase competition in Pr1−x(CaySr1−y)xMnO3 single crystals

article

Communication: Long-range angular correlations in liquid water

scientific article published in July 2013

Computational Insights into Materials and Interfaces for Capacitive Energy Storage

scientific article

Contact value relations and density functional theory for the electrical double layer

Correction to "Kinetic Charging Inversion in Ionic Liquid Electric Double Layers"

scientific article published on 18 November 2020

Correction to “New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water”

scholarly article published in Journal of Physical Chemistry

Coupled structural/magnetocrystalline anisotropy transitions in the doped perovskite cobaltitePr1−xSrxCoO3

scholarly article in Physical Review B, vol. 79 no. 21, June 2009

Density Functional Methods for Fast Screening of Metal–Organic Frameworks for Hydrogen Storage

Density Functional Study of the Electric Double Layer Formed by a High Density Electrolyte

scientific article published on 17 October 2011

Density functional theory for a primitive model of nanoparticle-block copolymer mixtures

scientific article published in April 2007

Density functional theory for chemical engineering: From capillarity to soft materials

Density functional theory for differential capacitance of planar electric double layers in ionic liquids

Density functional theory for inhomogeneous mixtures of polymeric fluids

Density functional theory for planar electric double layers: closing the gap between simple and polyelectrolytes

scientific article published in April 2006

Density functional theory for polyelectrolytes near oppositely charged surfaces

scientific article published on 2 February 2006

Density functional theory for predicting polymeric forces against surface fouling

Density functional theory for semiflexible and cyclic polyatomic fluids

scientific article published in September 2004

Density functional theory study of the capacitance of single file ions in a narrow cylinder

scientific article published on 13 November 2014

Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids.

scientific article

Density-functional theory for complex fluids

scientific article published on January 2007

Density-functional theory for the structures and thermodynamic properties of highly asymmetric electrolyte and neutral component mixtures

scientific article published on 24 September 2004

Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions.

scientific article published in April 2004

Detachment of HCO3– from the Active Site of Carbonic Anhydrase: Molecular Dynamics Simulation and Machine Learning

scholarly article by Gong Chen et al published 13 August 2018 in Journal of Physical Chemistry C

Differential Heat of Adsorption and Isosteres.

scientific article

Direct correlation functions for three-site and four-site water models

Does capillary evaporation limit the accessibility of nonaqueous electrolytes to the ultrasmall pores of carbon electrodes?

scientific article published on 01 December 2018

Dynamic control of protein folding pathway with a polymer of tunable hydrophobicity

scientific article published on 3 October 2007

Electrochemical Behavior of Nanoporous Supercapacitors with Oligomeric Ionic Liquids

Electrochemical Properties of the Double Layer of an Ionic Liquid Using a Dimer Model Electrolyte and Density Functional Theory

scientific article published on 15 February 2012

Electrostatic origins of polyelectrolyte adsorption: Theory and Monte Carlo simulations

scientific article published on 01 July 2010

Electrostatic regulation of genome packaging in human hepatitis B virus

scientific article published on April 2009

Entropic forces of single-chain confinement in spherical cavities

scientific article published on 22 October 2010

Equation of State for the Phase Behavior of Carbon Dioxide−Polymer Systems

Erratum: "Ion distribution and selectivity of ionic liquids in microporous electrodes" [J. Chem. Phys. 146, 174701 (2017)].

scientific article published in October 2017

Erratum: ‘‘Self-consistent equations governing the dynamics of non-equilibrium colloidal systems’’ [J. Chem. Phys. 134, 054514 (2011)]

scholarly article published in Journal of Chemical Physics

Excess-entropy scaling for gas diffusivity in nanoporous materials

scientific article published on 10 October 2013

Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids

Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory.

scientific article published on 13 March 2014

Flow effects on silicate dissolution and ion transport at an aqueous interface

scientific article published on 01 March 2019

Formation of lamellar structures from spherical particles

scientific article published in April 2009

Gaussian fluctuations in tethered DNA chains

scientific article

Generalizations for the potential of mean force between two isolated colloidal particles from Monte Carlo simulations

scientific article published in August 2002

Graphene oxide enabled long-term enzymatic transesterification in an anhydrous gas flux.

scientific article published on 18 June 2019

Growth Mechanism of Highly Branched Titanium Dioxide Nanowires via Oriented Attachment

scholarly article by Dongsheng Li et al published 28 January 2013 in Crystal Growth & Design

High-Throughput Prediction of the Hydration Free Energies of Small Molecules from a Classical Density Functional Theory

Hunting ionic liquids with large electrochemical potential windows

Hybrid MC-DFT method for studying multidimensional entropic forces

scientific article published on 20 January 2011

Impurity Effects on Charging Mechanism and Energy Storage of Nanoporous Supercapacitors

Influence of anisotropic ion shape on structure and capacitance of an electric double layer: a Monte Carlo and density functional study

scientific article

Interaction between oppositely charged micelles or globular proteins

scientific article

Interparticle Potential and the Phase Behavior of Temperature-Sensitive Microgel Dispersions

Ion association at discretely-charged dielectric interfaces: Giant charge inversion.

scientific article published in July 2017

Ion distribution and selectivity of ionic liquids in microporous electrodes.

scientific article

Ionic Liquid Mixture Expands the Potential Window and Capacitance of a Supercapacitor in Tandem

Ionic effects in collapse of polyelectrolyte brushes

scientific article published on 11 June 2008

Isotropic-nematic phase transition in athermal solutions of rod-coil diblock copolymers

scientific article published in July 2007

Jamming phase diagram of colloidal dispersions by molecular dynamics simulations

Kinetic Charging Inversion in Ionic Liquid Electric Double Layers

scientific article published on 12 June 2014

Kinetics of CO2 diffusion in human carbonic anhydrase: a study using molecular dynamics simulations and the Markov-state model

scientific article published on 24 April 2017

Layering, condensation, and evaporation of short chains in narrow slit pores

scientific article published in June 2005

Markov-state model for CO2 binding with carbonic anhydrase under confinement

scientific article published in January 2018

Melting Kinetics of Thermally Responsive Microgel Crystals

Microscopic Insights into the Electrochemical Behavior of Nonaqueous Electrolytes in Electric Double-Layer Capacitors

scientific article published on April 2013

Microstructure of Block Copolymers near Selective Surfaces: Theoretical Predictions and Configurational-Bias Monte Carlo Simulation

article

Mixed Ionic Liquid Improves Electrolyte Dynamics in Supercapacitors

Modeling Microscopic Morphology and Mechanical Properties of Block Copolymer/Nanoparticle Composites

Modeling inhomogeneous van der Waals fluids using an analytical direct correlation function

scientific article published on 23 July 2004

Modeling the Electrostatics and Size Effect within a Crowded Bioenvironment

Modeling the selectivity of activated carbons for efficient separation of hydrogen and carbon dioxide

scholarly article in Carbon, vol. 43 no. 7, June 2005

Molecular Simulation of Novel Carbonaceous Materials for Hydrogen Storage

Molecular Theory for Electrokinetic Transport in pH-Regulated Nanochannels

scientific article published on 21 August 2014

Molecular Theory of Hydration at Different Temperatures

scientific article published on 11 July 2017

Molecular density functional theory for multiscale modeling of hydration free energy

Molecular dynamics for surfactant-assisted protein refolding

scientific article

Molecular dynamics for the charging behavior of nanostructured electric double layer capacitors containing room temperature ionic liquids

Molecular dynamics simulations reveal how graphene oxide stabilizes and activates lipase in an anhydrous gas

scientific article published on 11 November 2019

Molecular thermodynamics for charged biomacromolecules

Monte Carlo simulation for the double layer structure of an ionic liquid using a dimer model: a comparison with the density functional theory.

scientific article published on 16 August 2012

Multiscale simulation of surfactant–aquaporin complex formation and water permeability

scholarly article in RSC Advances, vol. 4 no. 71, 2014

New theoretical method for rapid prediction of solvation free energy in water

scientific article

Nitrogen-doped porous aromatic frameworks for enhanced CO2 adsorption

scientific article

Non-Negligible Roles of Pore Size Distribution on Electroosmotic Flow in Nanoporous Materials

scientific article published on 28 June 2019

On the hydrophilicity of electrodes for capacitive energy extraction

scientific article published on 14 September 2016

Oscillation of capacitance inside nanopores

scientific article published on 28 October 2011

Osmotic pressure and packaging structure of caged DNA.

scientific article published on 21 September 2007

Osmotic pressures of aqueous bovine serum albumin solutions at high ionic strength

Overcharging of nanoparticles in electrolyte solutions.

scientific article

Pairwise-additive hydrophobic effect for alkanes in water

scholarly article

Phase equilibria in a system of “breathing” molecules

article published in 2002

Photo-induced ultrafast active ion transport through graphene oxide membranes

scientific article published on 12 March 2019

Polyelectrolyte complex coacervation: Effects of concentration asymmetry

Potential distribution theorem for the polymer-induced depletion between colloidal particles

scientific article published in April 2007

Potential of mean force and transient states in polyelectrolyte pair complexation.

scientific article published in July 2016

Predicting hydration free energies of amphetamine-type stimulants with a customized molecular model.

scientific article published on July 2016

Protein refolding assisted by periodic mesoporous organosilicas

scientific article published on 3 April 2007

Quantum Effects on the Capacitance of Graphene-Based Electrodes

Revisiting density functionals for the primitive model of electric double layers

scientific article published in January 2014

Seeking metal–organic frameworks for methane storage in natural gas vehicles

Selective Charging Behavior in an Ionic Mixture Electrolyte-Supercapacitor System for Higher Energy and Power

scientific article published on 29 November 2017

Self-consistent equations governing the dynamics of nonequilibrium colloidal systems

scientific article published in February 2011

Self-diffusion of methane in single-walled carbon nanotubes at sub- and supercritical conditions.

scientific article

Self-organization of multivalent counterions in polyelectrolyte brushes

scientific article published in August 2008

Separation of Carbon Isotopes in Methane with Nanoporous Materials

Separation of long DNA molecules through cleavage of hydrogen bonds under a stretching force

Separation of single-stranded DNA fragments at a 10-nucleotide resolution by stretching in microfluidic channels.

scientific article published on 14 October 2011

Shape effect on nanoparticle solvation: a comparison of morphometric thermodynamics and microscopic theories

scientific article published on 23 April 2012

Site-site direct correlation functions for three popular molecular models of liquid water.

scientific article published in August 2013

Solvation Structure of Surface-Supported Amine Fragments: A Molecular Dynamics Study

Solvation of a spherical cavity in simple liquids: interpolating between the limits

scientific article

Solvent Effect on the Pore-Size Dependence of an Organic Electrolyte Supercapacitor

scientific article published on 13 June 2012

Sorting short fragments of single-stranded DNA with an evolving electric double layer

scientific article published on 14 February 2013

Spreading of a Unilamellar Liposome on Charged Substrates: A Coarse-Grained Molecular Simulation.

scientific article

Structural and dynamic properties of colloids near jamming transition

Structural transitions of confined model proteins: molecular dynamics simulation and experimental validation

scientific article

Structure and Swelling of Grafted Polyelectrolytes: Predictions from a Nonlocal Density Functional Theory

Structure and thermodynamic properties of relativistic electron gases

scientific article published on 30 July 2014

Structure of an electric double layer containing a 2:2 valency dimer electrolyte

scientific article published on 5 December 2014

Structures and correlation functions of multicomponent and polydisperse hard-sphere mixtures from a density functional theory.

scientific article published in July 2004

Structures of hard-sphere fluids from a modified fundamental-measure theory

Surface forces between telechelic brushes revisited: the origin of a weak attraction.

scientific article published in March 2006

Surface-induced phase transitions in ultrathin films of block copolymers

scientific article published in May 2005

The tail effect on the shape of an electrical double layer differential capacitance curve

scientific article published in April 2013

Theoretical study of cooperativity in multivalent polymers for colloidal stabilization

scientific article published in October 2005

Thermodynamic Route to Efficient Prediction of Gas Diffusivity in Nanoporous Materials.

scientific article published on 15 September 2017

Thermodynamic and Structural Evidence for Reduced Hydrogen Bonding among Water Molecules near Small Hydrophobic Solutes

scientific article

Thermodynamic basis for the genome to capsid charge relationship in viral encapsidation

scientific article

Time-dependent density functional theory for ion diffusion in electrochemical systems

scientific article published on 12 June 2014

Time-dependent density functional theory for the charging kinetics of electric double layer containing room-temperature ionic liquids.

scientific article published in November 2016

Toward a Quantitative Theory of Ultrasmall Liquid Droplets and VaporLiquid Nucleation

article published in 2008

Toward high-throughput predictions of the hydration free energies of small organic molecules from first principles

article published in 2016

Understanding surface charge regulation in silica nanopores

scientific article published on 29 June 2020

Unusual effects of solvent polarity on capacitance for organic electrolytes in a nanoporous electrode

scientific article published on May 2014

Volume transition and internal structures of small poly(N-isopropylacrylamide) microgels

article by Lise Arleth et al published 1 April 2005 in Journal of Polymer Science Part B

Wettability of ultra-small pores of carbon electrodes by size-asymmetric ionic fluids

scientific article published on 01 February 2020

List of works by Jianzhong Wu

A GPU implementation of classical density functional theory for rapid prediction of gas adsorption in nanoporous materials

A Site Density Functional Theory for Water: Application to Solvation of Amino Acid Side Chains

A Thermodynamic Model for Genome Packaging in Hepatitis B Virus

A bridge-functional-based classical mapping method for predicting the correlation functions of uniform electron gases at finite temperature

A classical density functional theory for interfacial layering of ionic liquids

A comprehensive analysis of the BET area for nanoporous materials

A contact-corrected density functional theory for electrolytes at an interface

A density-functional theory for bulk and inhomogeneous Lennard-Jones fluids from the energy route

A fundamental-measure theory for inhomogeneous associating fluids

A hybrid method for predicting the microstructure of polymers with complex architecture: combination of single-chain simulation with density functional theory.

A hybrid theoretical method for predicting electrokinetic energy conversion in nanochannels

A liquid-state theory for electron correlation functions and thermodynamics

A modified fundamental measure theory for spherical particles in microchannels

A molecular theory for optimal blue energy extraction by electrical double layer expansion.

A molecular theory for predicting the thermodynamic efficiency of electrokinetic energy conversion in slit nanochannels.

A molecular thermodynamic model for the stability of hepatitis B capsids

A new exchange-correlation functional free of delocalization and static correlation errors

A new perturbation method for electrolyte solutions based on MSA

A perturbative density functional theory for square-well fluids

A theoretical model for the dynamic structure of hepatitis B nucleocapsid

A theoretical study for nanoparticle partitioning in the lamellae of diblock copolymers

A theoretical study of SRPK interaction with the flexible domains of hepatitis B capsids

A theoretical study of colloidal forces near amphiphilic polymer brushes

A theoretical study on the morphological phase diagram of supported lipid bilayers

An efficient method for accurate evaluation of the site–site direct correlation functions of molecular fluids

An improved classical mapping method for homogeneous electron gases at finite temperature

Anti-Icing Superhydrophobic Coatings

Application of Density Functional Theory To Study the Double Layer of an Electrolyte with an Explicit Dimer Model for the Solvent

Application of the new perturbation method to predict densities of single electrolyte aqueous solutions

Asphaltene precipitation in crude oils: Theory and experiments

Assembly of supertetrahedral T5 copper-indium sulfide clusters into a super-supertetrahedron of infinite order

Can ionophobic nanopores enhance the energy storage capacity of electric-double-layer capacitors containing nonaqueous electrolytes?

Capacitive Energy Extraction by Few-Layer Graphene Electrodes

Classical density functional theory for methane adsorption in metal-organic framework materials

Cluster formation and bulk phase behavior of colloidal dispersions

Colossal magnetotransport phenomena due to phase competition in Pr1−x(CaySr1−y)xMnO3 single crystals

Communication: Long-range angular correlations in liquid water

Computational Insights into Materials and Interfaces for Capacitive Energy Storage

Contact value relations and density functional theory for the electrical double layer

Correction to "Kinetic Charging Inversion in Ionic Liquid Electric Double Layers"

Correction to “New Theoretical Method for Rapid Prediction of Solvation Free Energy in Water”

Coupled structural/magnetocrystalline anisotropy transitions in the doped perovskite cobaltitePr1−xSrxCoO3

Density Functional Methods for Fast Screening of Metal–Organic Frameworks for Hydrogen Storage

Density Functional Study of the Electric Double Layer Formed by a High Density Electrolyte

Density functional theory for a primitive model of nanoparticle-block copolymer mixtures

Density functional theory for chemical engineering: From capillarity to soft materials

Density functional theory for differential capacitance of planar electric double layers in ionic liquids

Density functional theory for inhomogeneous mixtures of polymeric fluids

Density functional theory for planar electric double layers: closing the gap between simple and polyelectrolytes

Density functional theory for polyelectrolytes near oppositely charged surfaces

Density functional theory for predicting polymeric forces against surface fouling

Density functional theory for semiflexible and cyclic polyatomic fluids

Density functional theory study of the capacitance of single file ions in a narrow cylinder

Density-functional theory and Monte Carlo simulation for the surface structure and correlation functions of freely jointed Lennard-Jones polymeric fluids.

Density-functional theory for complex fluids

Density-functional theory for the structures and thermodynamic properties of highly asymmetric electrolyte and neutral component mixtures

Density-functional theory of spherical electric double layers and zeta potentials of colloidal particles in restricted-primitive-model electrolyte solutions.

Detachment of HCO3– from the Active Site of Carbonic Anhydrase: Molecular Dynamics Simulation and Machine Learning

Differential Heat of Adsorption and Isosteres.

Direct correlation functions for three-site and four-site water models

Does capillary evaporation limit the accessibility of nonaqueous electrolytes to the ultrasmall pores of carbon electrodes?

Dynamic control of protein folding pathway with a polymer of tunable hydrophobicity

Electrochemical Behavior of Nanoporous Supercapacitors with Oligomeric Ionic Liquids

Electrochemical Properties of the Double Layer of an Ionic Liquid Using a Dimer Model Electrolyte and Density Functional Theory

Electrostatic origins of polyelectrolyte adsorption: Theory and Monte Carlo simulations

Electrostatic regulation of genome packaging in human hepatitis B virus

Entropic forces of single-chain confinement in spherical cavities

Equation of State for the Phase Behavior of Carbon Dioxide−Polymer Systems

Erratum: "Ion distribution and selectivity of ionic liquids in microporous electrodes" [J. Chem. Phys. 146, 174701 (2017)].

Erratum: ‘‘Self-consistent equations governing the dynamics of non-equilibrium colloidal systems’’ [J. Chem. Phys. 134, 054514 (2011)]

Excess-entropy scaling for gas diffusivity in nanoporous materials

Extended test-particle method for predicting the inter- and intramolecular correlation functions of polymeric fluids

Fast prediction of hydration free energies for SAMPL4 blind test from a classical density functional theory.

Flow effects on silicate dissolution and ion transport at an aqueous interface

Formation of lamellar structures from spherical particles

Gaussian fluctuations in tethered DNA chains

Generalizations for the potential of mean force between two isolated colloidal particles from Monte Carlo simulations

Graphene oxide enabled long-term enzymatic transesterification in an anhydrous gas flux.

Growth Mechanism of Highly Branched Titanium Dioxide Nanowires via Oriented Attachment