Hu-Jun Qian

发表

A hybrid parallel architecture for electrostatic interactions in the simulation of dissipative particle dynamics

Zhong-Yuan Lu, Sheng-Chun Yang, Hu-Jun Qian, 2017, Comput. Phys. Commun..

A new theoretical derivation of NFFT and its implementation on GPU

Zhong-Yuan Lu, Hu-Jun Qian, Sheng-Chun Yang, 2018 .

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

Xiaoyu Chen, Hu-Jun Qian, Florian Müller-Plathe, 2011, J. Comput. Chem..

Employing multi-GPU power for molecular dynamics simulation: an extension of GALAMOST

Hong Liu, Zhan-Wei Li, You-Liang Zhu, 2018 .

Editorial: tailor-made approaches on use of multiscale modeling for research on soft materials – capabilities, restrictions and future possibilities

Dirk Reith, Roland Faller, Hu-Jun Qian, 2020 .

GALAMOST: GPU‐accelerated large‐scale molecular simulation toolkit

Hong Liu, Zhan-Wei Li, You-Liang Zhu, 2013, J. Comput. Chem..

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

Zhong-Yuan Lu, Hu-Jun Qian, Sheng-Chun Yang, 2016, J. Comput. Chem..

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

Stephan Irle, Hu-Jun Qian, Puja Goyal, 2014, The journal of physical chemistry. B.

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

Zhong-Yuan Lu, Hu-Jun Qian, Zesheng Li, 2005, The Journal of chemical physics.

Atomistic Mechanism of Carbon Nanostructure Self-Assembly as Predicted by Nonequilibrium QM/MD Simulations

Ying Wang, Stephan Irle, Keiji Morokuma, 2012 .

Temperature-Transferable Coarse-Grained potentials for ethylbenzene, polystyrene, and their mixtures

Hu-Jun Qian, Florian Müller-Plathe, Hossein Ali Karimi-Varzaneh, 2008 .

Coupled cluster and density functional theory calculations of atomic hydrogen chemisorption on pyrene and coronene as model systems for graphene hydrogenation.

Stephan Irle, Keiji Morokuma, Hu-Jun Qian, 2012, The journal of physical chemistry. A.