About me

Skillsets:

Simulation Techniques:

  1. Atomistic Molecular Dynamics Simulations
  2. Coarse-Grained Molecular Dynamics Simulations
  3. Systematic Coase-Graining Method, e.g., Iterative Boltzmann Inversion.
  4. Hybrid Particle-Field Simulations
  5. Slip-Spring Simulations

Theories:

Polymer Physics, Statistical Mechanics.

Education:

  • Ph.D, Physical Chemistry, Technische Universität Darmstadt, Germany
    • Date: Aug, 2021 (expected)
    • Doctoral Thesis: Improved Dynamics in Hybrid Particle-Field Simulations of Polymers
    • Advisor: Dr. Florian Müller-Plathe
  • M.S., Polymer Engineering, University of Akron, United States
    • Date: May, 2018
    • Master Thesis: Investigating the Effects of Grafting and Chain Stiffness on Nanoconfined Polymers from Molecular Dynamics Simulation
    • Advisor: Dr. David Simmons
  • B.S., Chemical Engineering, Soochow University, China
    • Date: July, 2017
    • Bachelor Thesis: Insights into Glass Formation Behavior of Brush Polymers from Molecular Dynamics Simulations
    • Advisor: Dr. Yong Wang & Dr. David Simmons

Publications:

  1. Zhou, T.;Wu, Z.; Chilukoti, H.; Müller‑Plathe, F Sequence‑Engineering Polyethylene‑PolypropyleneCopolymers with High Thermal Conductivity Using a Molecular‑Dynamics‑Based Genetic Algorithm Accepted.
  2. Wu, Z.; Alberti, S.; Schneider, J.; Müller-Plathe, F. Knotting Behaviour of Polymer Chains in the Melt State for Soft-Core Models with and without Slip-Springs. J. Phys. Condens. Matter In press.
  3. Wu, Z, Milano, G, and Müller‐Plathe, F. Combination of Hybrid Particle-Field Molecular Dynamics and Slip-Springs for the Efficient Simulation of Coarse-Grained Polymer Models: Static and Dynamic Properties of Polystyrene Melts. J. Chem. Theory Comput. In press.
  4. Wu, Z, Kalogirou, A, De Nicola, A, Milano, G, Müller‐Plathe, F. Atomistic hybrid particle‐field molecular dynamics combined with slip‐springs: Restoring entangled dynamics to simulations of polymer melts. J. Comput. Chem. 2021; 42: 6– 18.

Review Activity:


Talks and Posters: