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List of works by Hu-Jun Qian

A comparative study on the dynamic heterogeneity of supercooled polymers under nanoconfinement

scientific article published on 01 July 2019

A practical method to avoid bond crossing in two-dimensional dissipative particle dynamics simulations

scientific article published on 01 July 2008

A simulation study on the glass transition behavior and relevant segmental dynamics in free-standing polymer nanocomposite films

scientific article published on 21 May 2019

Accelerating electrostatic interaction calculations with graphical processing units based on new developments of Ewald method using non-uniform fast Fourier transform

scientific article published on 19 November 2015

Coarse-grained simulation study on the self-assembly of miktoarm star-like block copolymers in various solvent conditions

scientific article published on 01 April 2014

Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation

scientific article published on 21 June 2012

Dissipative particle dynamics simulation study on the binary mixture phase separation coupled with polymerization

scientific article published on 01 October 2007

Dissipative particle dynamics study on the interfaces in incompatible A/B homopolymer blends and with their block copolymers

scientific article published on 01 May 2005

Dissipative particle dynamics study on the morphology changes of diblock copolymer lamellar microdomains due to steady shear

scientific article published on 09 August 2006

Effect of the size of solvent molecules on the single-chain mechanics of poly(ethylene glycol): implications on a novel design of a molecular motor

scientific article published in October 2016

Effective control of the transport coefficients of a coarse-grained liquid and polymer models using the dissipative particle dynamics and Lowe-Andersen equations of motion.

scientific article published on 8 January 2009

GALAMOST: GPU-accelerated large-scale molecular simulation toolkit.

scientific article published in September 2013

IBIsCO: a molecular dynamics simulation package for coarse-grained simulation

scientific article

Influence of molecular-weight polydispersity on the glass transition of polymers

scientific article published on 27 January 2016

Interfacial Properties and Hopping Diffusion of Small Nanoparticle in Polymer/Nanoparticle Composite with Attractive Interaction on Side Group.

scientific article

Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based models

scientific article

Multiscale Self-Assembly of Mobile-Ligand Molecular Nanoparticles for Hierarchical Nanocomposites

scientific article published on 05 June 2019

Note: Chain length dependent nanoparticle diffusion in polymer melt: Effect of nanoparticle softness

scientific article published on 01 September 2016

Note: Effects of polydispersity on the phase behavior of AB diblock and BAB triblock copolymer melts: A dissipative particle dynamics simulation study

scientific article published in September 2013

Polymer brushes: a controllable system with adjustable glass transition temperature of fragile glass formers

scientific article published on 01 January 2014

Reactive Molecular Dynamics Simulation of Fullerene Combustion Synthesis: ReaxFF vs DFTB Potentials

article

Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations.

scientific article

Surface confined retro Diels-Alder reaction driven by the swelling of weak polyelectrolytes.

scientific article published on 10 March 2015

Surface diffusion dynamics of a single polymer chain in dilute solution

scientific article published on 06 August 2007

Synthesis of Polymer Single-Chain Nanoparticle with High Compactness in Cosolvent Condition: A Computer Simulation Study

scientific article published on 05 March 2020

Synthesize multiblock copolymers via complex formations between β-cyclodextrin and adamantane groups terminated at diblock copolymer ends: a Brownian dynamics simulation study

scientific article published on 05 December 2013

Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations

article

The dependence of nanostructures on the molecule rigidity of A2(B4)2-type miktoarm block copolymer

scientific article published on 01 January 2006

The effects of Lowe-Andersen temperature controlling method on the polymer properties in mesoscopic simulations

scientific article published on 01 March 2005

The influence of internal rotational barriers and temperature on static and dynamic properties of bulk atactic polystyrene

scientific article published on 01 December 2012

The interfacial structure and dynamics in a polymer nanocomposite containing small attractive nanoparticles: a full atomistic molecular dynamics simulation study

scientific article published on 06 May 2020

The unexpected flexibility of natural cellulose at a single-chain level and its implications to the design of nano materials

scientific article published on 01 November 2014

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