Projects per year
Personal profile
Personal profile
Zhenghao Wu is currently a faculty member in Chemistry Department at Xian Jiaotong Liverpool University, Suzhou.Zhenghao was a postdoctoral scholar working with Prof. Sinan Keten at Northwestern University, United States. Zhenghao received his Ph.D. in Theoretical Physical Chemistry at TU-Darmstadt, Germany, in late 2021, where he worked with Prof. Florian Müller-Plathe. Zhenghao obtained his M.S. from School of Polymer Science and Polymer Engineering at the University of Akron, United States, where he was advised by Prof. David Simmons. Zhenghao obtained his B.S. at Soochow University, China.Zhenghaos research interests are developing data-driven and theory-based multi-scale molecular simulation methods, especially for macromolecules (e.g., proteins and polymers), to solve real-world problems in health such as drug discovery and materials such as sustainable plastics.- Coarse-graining theory and methods for molecular simulations of soft matter- Differentiable molecular dynamics and neural network potentials- Machine learning for forward and inverse design of polymeric materialsFor latest publication: https://scholar.google.com/citations?hl=enuser=wo1zj5kAAAAJview_op=list_workssortby=pubdate
Research interests
Machine learning for forward and inverse design of polymeric materials
Differentiable molecular dynamics and neural network potentials
Coarse-graining theory and methods for molecular simulations of soft matter;
Experience
Assistant Professor, XJTLU, 2023-present
Postdoctoral Fellow, Civil and Environmental Engineering, Northwestern University, United States, 2021-2023
Education/Academic qualification
Dr. rer. nat. Theoretical Chemistry, Technischen Universität Darmstadt, Germany, 2018-2021
M.S. Polymer Engineering, The University of Akron, United States, 2016-2018
B.S. Chemical Engineering, Soochow University, China, 2013-2017
Person Types
- Staff
Fingerprint
Collaborations and top research areas from the last five years
Projects
- 3 Active
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Construction and Application of an Intelligent Database for Porous Materials Based on Natural Language Generation
Ding, L., Yang, L., Liu, C., Wu, Z. & Chen, L.
1/01/25 → 31/12/25
Project: Governmental Research Project
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Improving Polymer Upcycling via Sequence Engineering of Copolymer Compatibilizer
1/01/24 → 31/12/26
Project: Internal Research Project
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Integrated Software Development for Molecular Modeling of Crude Oil
Wu, Z. & Zhou, T.
1/09/23 → 31/08/25
Project: Governmental Research Project
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Tuning the interfacial reaction environment via pH-dependent and induced ions to understand C–N bonds coupling performance in NO3− integrated CO2 reduction to carbon and nitrogen compounds over dual Cu-based N-doped carbon catalyst
Zhou, T., Chen, S., Wu, Z., Lan, X. & Xiao, Y., Jan 2025, In: Journal of Energy Chemistry. 100, 273-285Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus) -
Characterizing the shear response of polymer-grafted nanoparticles
Moussavi, A., Pal, S., Wu, Z. & Keten, S., Apr 2024, In: Journal of Chemical Physics. 160, 13, p. 134903 1 p.Research output: Contribution to journal › Article › peer-review
Open Access3 Citations (Scopus) -
Erratum: "Characterizing the shear response of polymer-grafted nanoparticles" [J. Chem. Phys. 160, 134903 (2024)
Moussavi, A., Pal, S., Wu, Z. & Keten, S., 14 Jul 2024, In: Journal of Chemical Physics. 161, 2Research output: Contribution to journal › Comment/debate
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Structural Coarse-Graining via Multiobjective Optimization with Differentiable Simulation
Wu, Z. & Zhou, T., 26 Mar 2024, In: Journal of Chemical Theory and Computation. 20, 6, p. 2605-2617 13 p.Research output: Contribution to journal › Article › peer-review
3 Citations (Scopus) -
Understanding the Interfacial and Self-Assembly Behavior of Multiblock Copolymers for Developing Compatibilizers toward Mechanical Recycling of Polymer Blends
Zhou, T., Ning, X., Wu, Z., Lan, X. & Xu, C., 5 Apr 2024, In: Industrial and Engineering Chemistry Research. 63, 15, p. 6766-6773 8 p.Research output: Contribution to journal › Article › peer-review
2 Citations (Scopus)
Activities
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Glass Transition and Cooperative Dynamics
Zhenghao Wu (Supervisor)
14 Nov 2024Activity: Supervision › External examiner for PhD thesis
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Development of machine learning-assisted multi-scale molecular dynamics simulation methods for polymers
Zhenghao Wu (Speaker)
8 Nov 2024Activity: Talk or presentation › Presentation at conference/workshop/seminar
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Efficient Structural Coarse-Graining of Polymeric Materials via Differentiable Simulation
Zhenghao Wu (Speaker)
21 Aug 2024Activity: Talk or presentation › Invited talk
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Mechanism-Informed Data-Driven Prediction of Reaction Enantioselectivity
Zhenghao Wu (Supervisor)
20 May 2024Activity: Supervision › External examiner for PhD thesis
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Theoretical Study on Structure-Activity Relationship of Post-Transition State Bifurcation in Pericyclic Reactions
Zhenghao Wu (Supervisor)
20 May 2024Activity: Supervision › External examiner for PhD thesis