All Stories

  1. Horizontal to perpendicular transition of lamellar and cylinder phases in block copolymer films induced by interface segregation of single-chain nanoparticles during solvent evaporation

    Article • The Journal of Chemical Physics, September 2023, American Institute of Physics

    Professor Zhong-Yuan Lu

  2. Nanoparticle cluster formation mechanisms elucidated via Markov state modeling: Attraction range effects, aggregation pathways, and counterintuitive transition rates

    Article • The Journal of Chemical Physics, June 2022, American Institute of Physics

    Professor Zhong-Yuan Lu

  3. Free energy for inclusion of nanoparticles in solvated polymer brushes from molecular dynamics simulations

    Article • The Journal of Chemical Physics, March 2020, American Institute of Physics

    Professor Zhong-Yuan Lu

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

    Article • Molecular Physics, February 2018, Taylor & Francis

    Professor Zhong-Yuan Lu

  5. Disperse cyclic diblock copolymer: another promising candidate for fabricating irregular bicontinuous structure

    Article • Molecular Simulation, July 2017, Taylor & Francis

    Professor Zhong-Yuan Lu

  6. Dissipative particle dynamics simulation study on self-assembly of amphiphilic hyperbranched multiarm copolymers with different degrees of branching

    Article • Soft Matter, January 2015, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

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

    Article • The Journal of Chemical Physics, January 2014, American Institute of Physics

    Professor Zhong-Yuan Lu

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

    Article • Nanoscale, January 2014, Royal Society of Chemistry

    Shuxun Cui, Professor Zhong-Yuan Lu

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

    Article • Journal of Computational Chemistry, June 2013, Wiley

    Professor Zhong-Yuan Lu

  10. Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  11. Self-assembly structures of amphiphilic multiblock copolymer in dilute solution

    Article • Soft Matter, January 2013, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  12. Influence of ionic liquid film thickness on ion pair distributions and orientations at graphene and vacuum interfaces

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  13. Note: Different micellization behavior of miktoarm star-like and diblock copolymers

    Article • The Journal of Chemical Physics, December 2012, American Institute of Physics

    Professor Zhong-Yuan Lu

  14. Specific binding structures of dendrimers on lipid bilayer membranes

    Article • Physical Chemistry Chemical Physics, January 2012, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  15. Self-assembly of amphiphilic patchy particles with different cross-linking densities

    Article • Soft Matter, January 2012, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  16. Model, self-assembly structures, and phase diagram of soft Janus particles

    Article • Soft Matter, January 2012, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  17. Incorporating Chemical Reactions in Dissipative Particle Dynamics Simulations

    Article • Procedia Computer Science, January 2011, Elsevier

    Professor Zhong-Yuan Lu

  18. A possible route to fabricate patchy nanoparticles via self-assembly of a multiblock copolymer chain in one step

    Article • Soft Matter, January 2011, Royal Society of Chemistry

    Professor Zhong-Yuan Lu

  19. Simulation Model for Hierarchical Self-Assembly of Soft Disklike Particles

    Article • The Journal of Physical Chemistry B, January 2010, American Chemical Society (ACS)

    Professor Zhong-Yuan Lu

  20. Ordered Packing of Soft Discoidal System

    Article • The Journal of Physical Chemistry B, October 2008, American Chemical Society (ACS)

    Professor Zhong-Yuan Lu

  21. Polymer translocation through a nanopore in mesoscopic simulations

    Article • Polymer, June 2007, Elsevier

    Professor Zhong-Yuan Lu

  22. Molecular Dynamics Simulation Study on Controlling the Adsorption Behavior of Polyethylene by Fine Tuning the Surface Nanodecoration of Graphite

    Article • Langmuir, November 2006, American Chemical Society (ACS)

    Professor Zhong-Yuan Lu

  23. Roles of Branch Content and Branch Length in Copolyethylene Crystallization:  Molecular Dynamics Simulations

    Article • Macromolecules, December 2001, American Chemical Society (ACS)

    Professor Zhong-Yuan Lu