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
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Collaborations and top research areas from the last five years
Projects
- 2 Active
-
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
Research output
- 19 Article
-
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 Access -
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
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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
1 Citation (Scopus) -
Forces are not Enough: Benchmark and Critical Evaluation for Machine Learning Force Fields with Molecular Simulations
Fu, X., Wu, Z., Wang, W., Xie, T., Keten, S., Gomez-Bombarelli, R. & Jaakkola, T., 11 May 2023, In: Transactions on Machine Learning Research.Research output: Contribution to journal › Article › peer-review
Open Access -
Implicit Chain Particle Model for Polymer-Grafted Nanoparticles
Wu, Z., Pal, S. & Keten, S., 9 May 2023, In: Macromolecules. 56, 9, p. 3259-3271 13 p.Research output: Contribution to journal › Article › peer-review
Open Access5 Citations (Scopus)
Activities
- 2 Invited talk
-
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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通过可微分粗粒化方法构建半结晶聚合物系统化粗粒化模型
Zhenghao Wu (Speaker)
28 Apr 2024Activity: Talk or presentation › Invited talk