All Stories

  1. Transferable performance of machine learning potentials across graphene–water systems of different sizes: Insights from numerical metrics and physical characteristics

    Article • The Journal of Chemical Physics, November 2024, American Institute of Physics

    Diannan Lu

  2. Transferability evaluation of the deep potential model for simulating water-graphene confined system

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

    Diannan Lu

  3. The mechanism for the complexation and dissociation between siRNA and PMAL: a molecular dynamics simulation study based on a coarse-grained model

    Article • Molecular Simulation, July 2017, Taylor & Francis

    Diannan Lu

  4. Uniform mPEG-b-PMETAC enables pH-responsive delivery of insulin

    Article • Journal of Applied Polymer Science, July 2015, Wiley

    Diannan Lu

  5. Kinetic and multidimensional profiling of accelerated degradation of oil sludge by biostimulation

    Article • Environmental Science Processes & Impacts, January 2015, Royal Society of Chemistry

    Diannan Lu

  6. How ABA block polymers activate cytochrome c in toluene: molecular dynamics simulation and experimental observation

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Diannan Lu

  7. A molecular theory for optimal blue energy extraction by electrical double layer expansion

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Diannan Lu

  8. Ecological and enzymatic responses to petroleum contamination

    Article • Environmental Science Processes & Impacts, January 2014, Royal Society of Chemistry

    Diannan Lu

  9. Surface tension effects on the phase transition of a DPPC bilayer with and without protein: a molecular dynamics simulation

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Diannan Lu

  10. Electrokinetic desalination using honeycomb carbon nanotubes (HC-CNTs): a conceptual study by molecular simulation

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Diannan Lu

  11. Multiscale simulation of surfactant–aquaporin complex formation and water permeability

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Diannan Lu