Curriculum Vitae

Education:

• Ph.D, Physical Chemistry, Technische Universität Darmstadt, Germany
  • Time: 2018 - 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
  • Time: 2016 - 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
  • Time: 2013 - 2016
  • Bachelor Thesis: Insights into Glass Formation Behavior of Brush Polymers from Molecular Dynamics Simulations
  • Advisor: Dr. Yong Wang & Dr. David Simmons

Experience:

• 2018-2021: Teaching Assistant
  • Location: Department of Chemistry, Technische Universität Darmstadt, Germnay
  • Courses: Physical Chemistry (I), (II), (III), and Solid State Physics
  • Duties included: Prepare exercises; Organize tutorial seminars; Supervise examinations.
• 2016-2018: Research Assistant
  • Location: Department of Polymer Engineering, University of Akron, USA
  • Project: Insights into glass formation behavior of brush polymers from molecular dynamics (MD) simulations
    • Investigate the effect of grafting on the dynamics at polymer/substrate interfaces
    • Compute the glass transition temperature of polymers using novel algorithms
    • Conduct data analysis with automated scripts based on Python
  • Supervisor: Dr. David Simmons
• July-Aug, 2015: Internship
  • Location: Bureau of Quality and Technical Supervision of Suzhou, China
  • Duties included: Performed analyses to detect and quantify the amount of fat, sugar, protein and certain additives in consumer-based foods, and compared results to China National Food Standards (GB)

Skills:

• Polymer physics; simulation of the glass transition; soft materials and complex fluids.
• Python SciPy package; Bash; C++; Scilab; Microsoft Excel; Data analysis, Machine learning tools.
• Linux, Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and high performance computing (HPC) clusters.

Publications:

1. Zhou, T$^$; Wu, Z$^*$; Chilukoti, H; Müller-Plathe, F. Sequence-Engineering Polyethylene-Polypropylene Copolymers with High Thermal Conductivity Using a Molecular-Dynamics-Based Genetic Algorithm. Submitted (These authors$^$ contributed equally).
2. Zhou, T; Chilukoti, H; Wu, Z; Müller-Plathe, F. Effect of Defects on the Interfacial Thermal Conductance between n-Heneicosane in Solid and Liquid Phases and a Graphene Monolayer. Submitted.
3. *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. Submitted (These authors$^*$ contributed equally).
4. Wu, Z.; Milano, G.; 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. 2021, 17, 1, 474–487.
5. 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.

Talks and Posters:

Atomistic Hybrid Particle-Field Molecular Dynamics Combined with Slip-Springs: Restoring Entangled Dynamics to Simulations of Polymer Melts (contribute)

September 18, 2019

Talk at CECAM/IRTG school: Bio/Soft Matter Simulations across Multiple Scales, Heidelberg, Germany

Service and leadership:

• National Academic Conference for Polymers
  • Oct. 2015, Suzhou, China
  • Volunteer: Organized information of academic papers and reports and guided the attendees
• Student Association of Science and Technology
  • 2014 - 2015, Suzhou, China
  • Director: Participated in planning content and organizing student activities related to science and technology