Hu-Jun Qian: шукати на сайті Z-Library

Physical Chemistry Chemical Physics

Рік:

2007

Мова:

english

Файл:

PDF, 409 KB

english, 2007

Self-assembly of two-patch particles in solution: a Brownian dynamics simulation study

Li, Yang, Zhu, You-Liang, Li, Yan-Chun, Qian, Hu-Jun, Sun, Chia-Chung

Журнал:

Molecular Simulation

Рік:

2014

Мова:

english

Файл:

PDF, 614 KB

english, 2014

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

Li, Shu-Jia, Xie, Shi-Jie, Li, Yan-Chun, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Physical Review E

Рік:

2016

Мова:

english

Файл:

PDF, 852 KB

english, 2016

Computer Simulation Study on the Self-assembly of Unimodal and Bimodal Polymer-Grafted Nanoparticles in Polymer Melt

Shi, Rui, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Рік:

2017

Мова:

english

Файл:

PDF, 10.97 MB

english, 2017

Diffusion dynamics of nanoparticle and its coupling with polymers in polymer nanocomposites

Chen, Tao, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Chemical Physics Letters

Рік:

2017

Мова:

english

Файл:

PDF, 523 KB

english, 2017

Dynamics and Reaction Kinetics of Coarse-Grained Bulk Vitrimers: A Molecular Dynamics Study

Wu, Jian-Bo, Li, Shu-Jia, Liu, Hong, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Physical Chemistry Chemical Physics

Рік:

2019

Мова:

english

Файл:

PDF, 2.39 MB

english, 2019

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

Hossein Ali Karimi-Varzaneh, Hu-Jun Qian, Xiaoyu Chen, Paola Carbone, Florian Müller-Plathe

Журнал:

Journal of Computational Chemistry

Рік:

2011

Мова:

english

Файл:

PDF, 501 KB

english, 2011

Molecular dynamics simulation studies of binary blend miscibility of poly(3-hydroxybutyrate) and poly(ethylene oxide)

Hua Yang, Li Ze-Sheng, Hu-jun Qian, Yong-biao Yang, Xiu-bin Zhang, Chia-chung Sun

Журнал:

Рік:

2004

Мова:

english

Файл:

PDF, 215 KB

english, 2004

Dissipative particle dynamics simulation study on complex structure transitions of vesicles formed by comb-like block copolymers

Hong Wang, Ying-Tao Liu, Hu-Jun Qian, Zhong-Yuan Lu

Журнал:

Journal of Membrane Science

Рік:

2011

Мова:

english

Файл:

PDF, 1.60 MB

english, 2011

Dissipative particle dynamics simulation on the polymer membrane formation by immersion precipitation

Xiao-Lin Wang, Hu-Jun Qian, Li-Jun Chen, Zhong-Yuan Lu, Ze-Sheng Li

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 860 KB

english, 2008

The influence of one block polydispersity on phase separation of diblock copolymers: The molecular mechanism for domain spacing expansion

Li, Yue, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Journal of Physical Chemistry A

Рік:

2013

Мова:

english

Файл:

PDF, 510 KB

english, 2013

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

Wang, Ying, Qian, Hu-Jun, Morokuma, Keiji, Irle, Stephan

Журнал:

Рік:

2012

Мова:

english

Файл:

PDF, 334 KB

english, 2012

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

Liu, Hong, Qian, Hu-Jun, Zhao, Ying, Lu, Zhong-Yuan

Журнал:

Рік:

2007

Мова:

english

Файл:

PDF, 941 KB

english, 2007

Microphase Transitions of Perforated Lamellae of Cyclic Diblock Copolymers under Steady Shear

You, Li-Yan, Chen, Li-Jun, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Journal of Computational Chemistry

Рік:

2007

Мова:

english

Файл:

PDF, 321 KB

english, 2007

GALAMOST: GPU-accelerated large-scale molecular simulation toolkit

Zhu, You-Liang, Liu, Hong, Li, Zhan-Wei, Qian, Hu-Jun, Milano, Giuseppe, Lu, Zhong-Yuan

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 1.28 MB

english, 2013

Age and geochemistry of Silurian gabbroic rocks in the Tongbai orogen, central China: Implications for the geodynamic evolution of the North Qinling arc–back-arc system

Wang, Hao, Wu, Yuan-Bao, Qin, Zheng-Wei, Zhu, Liu-Qin, Liu, Qian, Liu, Xiao-Chi, Gao, Shan, Wijbrans, Jan R., Zhou, Lian, Gong, Hu-Jun, Yuan, Hong-Lin

Журнал:

Lithos

Рік:

2013

Мова:

english

Файл:

PDF, 2.23 MB

english, 2013

Atom-by-atom simulations of graphene growth by decomposition of SiC (0001): Impact of the substrate steps

Morita, Masato, Norimatsu, Wataru, Qian, Hu-Jun, Irle, Stephan, Kusunoki, Michiko

Журнал:

Applied Physics Letters

Рік:

2013

Мова:

english

Файл:

PDF, 1.42 MB

english, 2013

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

Qian, Hu-Jun, Liew, Chee Chin, Müller-Plathe, Florian

Журнал:

Physical Chemistry Chemical Physics

Рік:

2009

Мова:

english

Файл:

PDF, 719 KB

english, 2009

Quantum chemical simulations reveal acetylene-based growth mechanisms in the chemical vapor deposition synthesis of carbon nanotubes

Wang, Ying, Gao, Xingfa, Qian, Hu-Jun, Ohta, Yasuhito, Wu, Xiaona, Eres, Gyula, Morokuma, Keiji, Irle, Stephan

Журнал:

Carbon

Рік:

2014

Мова:

english

Файл:

PDF, 2.76 MB

english, 2014

An Automatic Coarse-Graining and Fine-Graining Simulation Method: Application on Polyethylene

Chen, Li-Jun, Qian, Hu-Jun, Lu, Zhong-Yuan, Li, Ze-Sheng, Sun, Chia-Chung

Журнал:

Journal of Physical Chemistry B

Рік:

2006

Мова:

english

Файл:

PDF, 211 KB

english, 2006

Computer Simulation of Cyclic Block Copolymer Microphase Separation

Qian, Hu-Jun, Lu, Zhong-Yuan, Chen, Li-Jun, Li, Ze-Sheng, Sun, Chia-Chung

Журнал:

Рік:

2005

Мова:

english

Файл:

PDF, 315 KB

english, 2005

Deep subduction of continental crust in accretionary orogen: Evidence from U–Pb dating on diamond-bearing zircons from the Qinling orogen, central China

Wang, Hao, Wu, Yuan-Bao, Gao, Shan, Zheng, Jian-Ping, Liu, Qian, Liu, Xiao-Chi, Qin, Zheng-Wei, Yang, Sai-Hong, Gong, Hu-Jun

Журнал:

Lithos

Рік:

2014

Мова:

english

Файл:

PDF, 5.47 MB

english, 2014

Enhancing composition window of bicontinuous structures by designed polydispersity distribution of ABA triblock copolymers

Li, Yue, Qian, Hu-Jun, Lu, Zhong-Yuan, Shi, An-Chang

Журнал:

Qian, Hu-Jun, Carbone, Paola, Chen, Xiaoyu, Karimi-Varzaneh, Hossein Ali, Liew, Chee Chin, Müller-Plathe, Florian

Рік:

2013

Мова:

english

Файл:

PDF, 1.31 MB

english, 2013

Temperature-Transferable Coarse-Grained Potentials for Ethylbenzene, Polystyrene, and Their Mixtures

Журнал:

Journal of Physical Chemistry A

Рік:

2008

Мова:

english

Файл:

PDF, 473 KB

english, 2008

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

Bao, Yu, Qian, Hu-Jun, Lu, Zhong-Yuan, Cui, Shuxun

Журнал:

Nanoscale

Рік:

2014

Мова:

english

Файл:

PDF, 749 KB

english, 2014

A Theoretical Study on the Potential Energy Surface of the 3 C 2 + NO Reaction

Wei, Zhi-Gang, Huang, Xu-Ri, Zhang, Shao-Wen, Sun, Yan-Bo, Qian, Hu-Jun, Sun, Chia-Chung

Журнал:

Рік:

2004

Мова:

english

Файл:

PDF, 198 KB

english, 2004

Molecular Simulation of Water and Hydration Effects in Different Environments: Challenges and Developments for DFTB Based Models

Goyal, Puja, Qian, Hu-Jun, Irle, Stephan, Lu, Xiya, Roston, Daniel, Mori, Toshifumi, Elstner, Marcus, Cui, Qiang

Журнал:

Journal of Physical Chemistry B

Рік:

2014

Мова:

english

Файл:

PDF, 6.31 MB

english, 2014

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

Wang, Ying, Page, Alister J., Nishimoto, Yoshio, Qian, Hu-Jun, Morokuma, Keiji, Irle, Stephan

Журнал:

Journal of the American Chemical Society

Рік:

2011

Мова:

english

Файл:

PDF, 3.15 MB

english, 2011

Synthesize Multiblock Copolymers via Complex Formations between β-Cyclodextrin and Adamantane Groups Terminated at Diblock Copolymer Ends: A Brownian Dynamics Simulation Study

Wang, Wei, Zhu, You-Liang, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Journal of Physical Chemistry B

Рік:

2013

Мова:

english

Файл:

PDF, 510 KB

english, 2013

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

Qian, Hu-Jun, Lu, Zhong-Yuan, Chen, Li-Jun, Li, Ze-Sheng, Sun, Chia-Chung

Журнал:

Рік:

2005

Мова:

english

Файл:

PDF, 360 KB

english, 2005

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

Liu, Wei, Qian, Hu-Jun, Lu, Zhong-Yuan, Li, Ze-Sheng, Sun, Chia-Chung

Журнал:

Physical Review E

Рік:

2006

Мова:

english

Файл:

PDF, 502 KB

english, 2006

The dependence of nanostructures on the molecule rigidity of A[sub 2](B[sub 4])[sub 2]-type miktoarm block copolymer

Qian, Hu-Jun, Chen, Li-Jun, Lu, Zhong-Yuan, Li, Ze-Sheng, Sun, Chia-Chung

Журнал:

Рік:

2006

Мова:

english

Файл:

PDF, 493 KB

english, 2006

Hard and soft confinement effects on the glass transition of polymers confined to nanopores

Журнал:

Рік:

2015

Мова:

english

Файл:

PDF, 876 KB

english, 2015

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

Chen, Li-Jun, Lu, Zhong-Yuan, Qian, Hu-Jun, Li, Ze-Sheng, Sun, Chia-Chung

Журнал:

Рік:

2005

Мова:

english

Файл:

PDF, 478 KB

english, 2005

Surface Diffusion Dynamics of a Single Polymer Chain in Dilute Solution

Qian, Hu-Jun, Chen, Li-Jun, Lu, Zhong-Yuan, Li, Ze-Sheng

Журнал:

Physical Review Letters

Рік:

2007

Мова:

english

Файл:

PDF, 248 KB

english, 2007

Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle

Chen, Tao, Qian, Hu-Jun, Zhu, You-Liang, Lu, Zhong-Yuan

Журнал:

Рік:

2015

Мова:

english

Файл:

PDF, 2.47 MB

english, 2015

Revealing the Hydrophobicity of Natural Cellulose by Single-Molecule Experiments

Bao, Yu, Qian, Hu-jun, Lu, Zhong-yuan, Cui, Shuxun

Журнал:

Рік:

2015

Мова:

english

Файл:

PDF, 1.02 MB

english, 2015

The glass transition of polymers with different side-chain stiffness confined in free-standing thin films

Журнал:

Рік:

2015

Мова:

english

Файл:

PDF, 1.39 MB

english, 2015

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

Liu, Hong, Xue, Yao-Hong, Qian, Hu-Jun, Lu, Zhong-Yuan, Sun, Chia-Chung

Журнал:

Рік:

2008

Мова:

english

Файл:

PDF, 619 KB

english, 2008

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

Li, Yue, Qian, Hu-Jun, Lu, Zhong-Yuan, Shi, An-Chang

Журнал:

Рік:

2013

Мова:

english

Файл:

PDF, 185 KB

english, 2013

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

Журнал:

Рік:

2014

Мова:

english

Файл:

PDF, 1.11 MB

english, 2014

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

Журнал:

Yang, Sheng-Chun, Qian, Hu-Jun, Lu, Zhong-Yuan

Рік:

2012

Мова:

english

Файл:

PDF, 1.40 MB

english, 2012

QM/MD studies on graphene growth from small islands on the Ni(111) surface

Jiao, Menggai, Song, Wei, Qian, Hu-Jun, Wang, Ying, Wu, Zhijian, Irle, Stephan, Morokuma, Keiji

Журнал:

Nanoscale

Рік:

2016

Мова:

english

Файл:

PDF, 2.13 MB

english, 2016

A new theoretical derivation of NFFT and its implementation on GPU

Журнал:

Applied and Computational Harmonic Analysis

Рік:

2016

Мова:

english

Файл:

PDF, 3.16 MB

english, 2016

Computer simulation study of polydispersity effect on the phase behavior of short diblock copolymers

Jiao, Gui-Sheng, Li, Yue, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Journal of Computational Chemistry

Рік:

2016

Мова:

english

Файл:

PDF, 1.77 MB

english, 2016

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

Yang, Sheng-Chun, Wang, Yong-Lei, Jiao, Gui-Sheng, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал:

Рік:

2016

Мова:

english

Файл:

PDF, 1.00 MB

english, 2016

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

Luo, Zhonglong, Zhang, Bo, Qian, Hu-jun, Lu, Zhong-yuan, Cui, Shuxun

Журнал:

Nanoscale

Рік:

2016

Мова:

english

Файл:

PDF, 1.67 MB

english, 2016

Quantum mechanical simulation reveals the role of cold helium atoms and the coexistence of bottom-up and top-down formation mechanisms of buckminsterfullerene from carbon vapor

Qian, Hu-Jun, Wang, Ying, Morokuma, Keiji

Журнал:

Carbon

Рік:

2017

Мова:

english

Файл:

PDF, 2.16 MB

english, 2017

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

Chen, Tao, Qian, Hu-Jun, Lu, Zhong-Yuan

Журнал: