GALAMOST
GPU-Accelerated Large-Scale Molecular Simulation Toolkit
Station: Publication

Applications

  • 2017

  • R. Shi, H.-J. Qian and Z.-Y. Lu, Computer simulation study on the self-assembly of unimodal and bimodal polymer-grafted nanoparticles in a polymer melt, Phys. Chem. Chem. Phys., 19, 16524-16532, 2017 CrossRef
  • G.-S. Jiao, H.-J. Qian, Z.-Y. Lu, Temperature induced transition from acceleration to deceleration of the diffusion of polymers by soft nanoparticles in their composite, Chem. Phys. Lett., 677, 152, 2017 CrossRef
  • Y.-L. Zhu, Z.-W. Li, Z.-Y. Sun, Z.-Y. Lu, Computer Simulation Study on the Formation of Nanofibers by Hyper Branched Molecules, Acta Polymerica Sinica, 2, 351-358, 2017 CrossRef
  • X.-M. Jia, R. Shi, G.-S. Jiao, T. Chen, H.-J. Qian, Z.-Y. Lu, Temperature Effect on Interfacial Structure and Dynamics Properties in Polymer/Single-Chain Nanoparticle Composite, Macromolecular Chemistry and Physics, 1700029, 2017 CrossRef
  • Y.-T. Liu, Y.-R. Li, X. Wang, Spontaneous onion shape vesicle formation and fusion of comb-like block copolymers studied by dissipative particle dynamics, RSC Adv., 7 (9), 5130, 2017 CrossRef
  • S.-C. Yang, Y.-L. Zhu, H.-J. Qian, Z.-Y. Lu, Molecular dynamics simulation of antipolyelectrolyte effect and solubility of polyzwitterions, Chemical Research in Chinese Universities, 33 (2), 261, 2017 CrossRef
  • M.-C. Sun, B.-Y. Li, Y.-C. Li, Y.-D. Liu, Q. Liu, H.-L. Jiang, Z.-G. He, Y.-S. Zhao, J. Sun, Experimental observations and dissipative particle dynamic simulations on microstructures of pH-sensitive polymer containing amorphous solid dispersions, International Journal of Pharmaceutics, 517 (1-2), 185, 2017 CrossRef
  • H.-W. Pei, X.-L. Liu, H. Liu, Y.-L. Zhu, Z.-Y. Lu, Enhancement of surface nonwettability by grafting loops, Phys. Chem. Chem. Phys., 19 (6), 4710, 2017 CrossRef


  • 2016

  • H.-W. Pei, H. Liu, Y.-L. Zhu, Z.-Y. Lu, Understanding the wettability of a hairy surface: effect of hair rigidity and topology, Phys. Chem. Chem. Phys., 18 (28), 18767, 2016 CrossRef
  • D. Xu, H. Liu, Y.-L. Zhu, Z.-Y. Lu, Three-dimensional inverse design of nanopatterns with block copolymers and homopolymers, Nanoscale, 8 (9), 5235, 2016 CrossRef
  • Y.-W. Li, Z.-Y. Sun, The relationship between local density and bond-orientational order during crystallization of the Gaussian core model, Soft Matter, 12 (7), 2009, 2016 CrossRef
  • Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, The mechanism of the emergence of distinct overstretched DNA states, The Journal of Chemical Physics, 144 (2), 024901, 2016 CrossRef
  • X.-G Ye, Z.-W. Li, Z.-Y. Sun, B. Khomami, Template-Free Bottom-Up Method for Fabricating Diblock Copolymer Patchy Particles, ACS Nano, 10 (5), 5199, 2016 CrossRef
  • Q.-Z. Zou, Z.-W. Li, Z.-Y. Lu, Z.-Y. Sun, Supracolloidal helices from soft Janus particles by tuning the particle softness, Nanoscale, 8 (7), 4070, 2016 CrossRef
  • Z.-W. Li, Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, Supracolloidal fullerene-like cages: design principles and formation mechanisms, Phys. Chem. Chem. Phys., 18 (47), 32534, 2016 CrossRef
  • Z.-W. Li, Z.-Y. Sun, Z.-Y. Lu, Simulation Models of Soft Janus and Patchy Particles, Self-Assembling Systems, 109, 2016 CrossRef
  • Y.-W. Li, Y.-L. Zhu, Z.-Y. Sun, Probing heterogeneous dynamics from spatial density correlation in glass-forming liquids, Physical Review E, 94, 6, 2016 CrossRef
  • T. Chen, H.-J. Qian, Z.-Y. Lu, Note: Chain length dependent nanoparticle diffusion in polymer melt: Effect of nanoparticle softness, The Journal of Chemical Physics, 145 (10), 106101, 2016 CrossRef
  • Y.-H. Tang, H.-H. Lin, T.-Y. Liu, H. Matsuyama, X.-L. Wang, Multiscale simulation on the membrane formation process via thermally induced phase separation accompanied with heat transfer, Journal of Membrane Science, 515, 258, 2016 CrossRef
  • S.-J. Li, S.-J. Xie, Y.-C. Li, H.-J. Qian, Z.-Y. Lu, Influence of molecular-weight polydispersity on the glass transition of polymers, Physical Review E, 93, 1, 2016 CrossRef
  • Y.-L. Zhu, Z.-Y. Lu, G. Milano, A.-C. Shi, Z.-Y. Sun, Hybrid particle-field molecular dynamics simulation for polyelectrolyte systems, Phys. Chem. Chem. Phys., 18 (14), 9799, 2016 CrossRef
  • W.-D. Chen, Y.-L. Zhu, F.-C. Cui, L.-Y. Liu, Z.-Y. Sun, J.-Z. Chen, Y.-Q. Li, X.-H. Huang, GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential, PLOS ONE, 11 (3), e0151704 (14), 9799, 2016 CrossRef
  • Z.-W. Li, Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, A versatile model for soft patchy particles with various patch arrangements, Soft Matter, 12 (3), 741, 2016 CrossRef
  • H. Liu, Y.-L. Zhu, Z.-Y. Lu, F. Muller-Plathe, A kinetic chain growth algorithm in coarse-grained simulations, Journal of Computational Chemistry, 37 (30), 2634, 2016 CrossRef


  • 2015

  • W. Wang, Y.-C. Li, Z.-Y. Lu, Coil to globule transition of homo- and block-copolymer with different topological constraint and chain stiffness, Science China Chemistry, 2015 CrossRef
  • B. Wang, L. Chen, Y.-J. Sun, Y.-L. Zhu, Z.-Y Sun, T.-Z. An, Y.-H Li, Y. Lin, D.-P. Fan, Q. Wang, Development of phenylboronic acid-functionalized nanoparticles for emodin delivery, J. Mater. Chem. B, 3 (18), 3840, 2015 CrossRef
  • S.-J. Xie, H.-J. Qian, Z.-Y. Lu, Hard and soft confinement effects on the glass transition of polymers confined to nanopores, Polymer, 56, 545, 2015 CrossRef
  • M.-L Yue, Y.-C. Li, Y. Hou, W.-X. Cao, J.-Q. Zhu, J.-C. Han, Z.-Y. Lu, M. Yang, Hydrogen Bonding Stabilized Self-Assembly of Inorganic Nanoparticles: Mechanism and Collective Properties, ACS Nano, 150522164145005, 2015 CrossRef
  • T. Chen, H.-J. Qian, Y.-L. Zhu, Z.-Y. Lu, Structure and Dynamics Properties at Interphase Region in the Composite of Polystyrene and Cross-Linked Polystyrene Soft Nanoparticle, Macromolecules, 48 (8), 2751, 2015 CrossRef
  • S.-J. Xie, H.-J. Qian, Z.-Y. Lu, The glass transition of polymers with different side-chain stiffness confined in free-standing thin films, The Journal of Chemical Physics, 142 (7), 074902, 2015 CrossRef
  • H.-W. Pei, H. Liu, Z.-Y. Lu, Y.-L. Zhu, Tuning surface wettability by designing hairy structures, Physical Review E, 91 (2), 2015 CrossRef


  • 2014

  • W. Wang, P. Zhao, X. Yang, Z.-Y. Lu, Coil-to-globule transitions of homopolymers and multiblock copolymers, The Journal of Chemical Physics, 141 (24), 244907, 2014 CrossRef
  • Z.-N. Wu, Y.-C. Li, J.-L. Liu, Z.-Y. Lu, H. Zhang, B. Yang, Colloidal Self-Assembly of Catalytic Copper Nanoclusters into Ultrathin Ribbons, Angewandte Chemie, 126, 45, 2014 CrossRef
  • Y.-J. Liu, Y.-C. Li, J. He, K. J. Duelge, Z.-Y. Lu, Z.-H. Nie, Entropy-Driven Pattern Formation of Hybrid Vesicular Assemblies Made from Molecular and Nanoparticle Amphiphiles, Journal of the American Chemical Society, 136 (6), 2602, 2014 CrossRef
  • S.-J. Xie, H.-J. Qian, Z.-Y. Lu, Polymer brushes: A controllable system with adjustable glass transition temperature of fragile glass formers, The Journal of Chemical Physics, 140 (4), 044901, 2014 CrossRef


  • 2013

  • Y.-H. Xue, Y.-L. Zhu, W. Quan, F.-H. Qu, C. Han, J.-T. Fan, H. Liu, Polymer-grafted nanoparticles prepared by surface-initiated polymerization: the characterization of polymer chain conformation, grafting density and polydispersity correlated to the grafting surface curvature. Physical Chemistry Chemical Physics, 15 (37), 15356, 2013 CrossRef
  • Z.-W. Li, Z.-Y. Lu, Y.-L. Zhu, Z.-Y. Sun and L.-J. An, A simulation model for soft triblock Janus particles and their ordered packing. RSC Advances, 3 (3), 813, 2013 CrossRef


  • 2012

  • H. Liu, Y.-L. Zhu, J. Zhang, Z.-Y. Lu, and Z.-Y. Sun, Influence of Grafting Surface Curvature on Chain Polydispersity and Molecular Weight in Concave Surface-Initiated Polymerization. ACS Macro Letters, 1 (11): p. 1249-1253, 2012 CrossRef

-----------------------------------------------------------------------------------------------------------------------------------

Theory and Description of GALAMOST

  • Y.-L. Zhu, H. Liu, Z.-W. Li, H.-J. Qian,G. Milano, and Z.-Y. Lu, GALAMOST: GPU-accelerated large-scale molecular simulation toolkit. J. Comput. Chem., 34 (25), 2197, 2013 CrossRef
  • Z.-W. Li, Y.-L. Zhu, Z.-Y. Lu, Z.-Y. Sun, A versatile model for soft patchy particles with various patch arrangements, Soft Matter, 12 (3), 741, 2016 CrossRef
  • H. Liu, Y.-L. Zhu, Z.-Y. Lu, F. Muller-Plathe, A kinetic chain growth algorithm in coarse-grained simulations, Journal of Computational Chemistry, 37 (30), 2634, 2016 CrossRef
  • W.-D. Chen, Y.-L. Zhu, F.-C. Cui, L.-Y. Liu, Z.-Y. Sun, J.-Z. Chen, Y.-Q. Li, X.-H. Huang, GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential, PLOS ONE, 11 (3), e0151704 (14), 9799, 2016 CrossRef