Projects per year
Personal profile
Personal profile
Dr. Lifeng Ding serves as the Acting Head of the Department of Chemistry and Materials Science in the School of Science, Xi'an Jiaotong-Liverpool University (XJTLU). He is an Associate Professor and has been working at XJTLU since 2013. Prior to his position at XJTLU, Dr. Ding was a Marie-Curie Research Fellow at the University of Surrey, UK. He obtained his PhD from the University of Leicester, UK.
Dr. Ding's research focuses on the study and design of novel materials using molecular modeling and artificial intelligence techniques. His work aims to achieve a molecular-level understanding of both existing and theoretical materials, thereby facilitating the rational design of new materials for various applications. These applications include energy storage, carbon capture, gas/liquid separation/detection, isotope separation, and biodegradable polymers, among others. To date, he has contributed over 60 high-quality journal articles to the scientific community, published in prestigious journals such as Science, Chem, and Nature Communications.
He is now actively recruiting Research Assistants and PhD students. Please feel free to email him at: Lifeng.Ding@xjtlu.edu.cn
Some of his research news coverage links:
Research interests
With the advent of modern computational techniques, it is now possible to study and predict the properties of materials through Atomistic Simulations and Machine Learning technology. These digital tools have emerged as one of the most powerful and effective methods for investigating materials at the nanoscale. My research focuses on the utilization of these digital tools to explore various nanomaterials of significant scientific and technological interest.
Experience
Marie Curie Research Fellow, University of Surrey, UK - 2010 to 2013
Teaching
CHE401 Advanced Analytical Chemistry
CHE302 Advanced Physical Chemistry
CHE308 Polymer Chemistry
CHE203 Further Key skills in Chemistry
CHE202 Intermediate Physical Chemistry
CHE111 Key Skills for Chemistry
CHE107 Math for Chemist
CHE106 Introductory Physical Chemistry
Awards and honours
Marie Curie Research Fellowship
EPSRC PhD Scholarship Funding
Education/Academic qualification
Ph.D, University of Leicester, UK
MRes, University of Nottingham, UK
BSc, Nanjing University of Science and Technology, China
External positions
Honorary Faculty, University of Liverpool, UK
Research areas
- AI Aided Materials Discovery
- Computational Chemistry
- AI Robotic Chemistry
- Metal Organic Frameworks
Person Types
- Staff
Expertise related to UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. This person’s work contributes towards the following SDG(s):
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SDG 3 Good Health and Well-being -
SDG 7 Affordable and Clean Energy
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Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
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Intelligence-Driven Sensor Integration Platform for Precision Regulation of Surface and Interfacial Properties
Ding, L. (PI), Liu, C. (Team member), Dong, Q. (Team member) & Zhang, Q. (Team member)
1/01/26 → 31/12/28
Project: Governmental Research Project
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The Construction of External Field-Responsive CO2 Adsorbents and the Study of the Enhanced CO2 Adsorption Mechanisms
Choi, H. (Team member) & Ding, L. (PI)
1/01/25 → 31/12/28
Project: Governmental Research Project
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Construction and Application of an Intelligent Database for Porous Materials Based on Natural Language Generation
Yang, L. (Team member), Liu, C. (Team member), Wu, Z. (Team member), Chen, L. (Team member) & Ding, L. (PI)
1/01/25 → 31/12/25
Project: Governmental Research Project
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Suzhou Industrial Park High Quality Innovation Platform of Functional Molecular Materials and Devices
Liu, C. (Team member), Lu, Q. (Team member), Papadikis, K. (Team member), Choi, H. (Team member), Lin, Y. (Team member), Xue, X. (Team member), Huang, X. (Team member), Ding, M. (Team member), Wang, X. (Team member), Zhang, Q. (Team member), JIN, X. (Team member), Matziari, M. (Team member), Ding, L. (Team member), Li, D. (Team member), Dennis, J. (Team member), Dong, Q. (Team member), 张开周 (Team member), 由冬琦 (Team member), 郜明文 (Team member) & Yang, L. (PI)
1/09/23 → 30/08/26
Project: Governmental Research Project
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Molecular Simulation Studies of MOPs for Greenhouse Gases' Capture
Ding, L. (PI), Zhao, L. (Team member), Wu, X. (Team member), Zhang, M. (Team member) & Weng, J. (Team member)
1/01/23 → 31/12/25
Project: Governmental Research Project
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Design and synthesis of neomycin-oxazolidinone hybrid antibiotics: exhibiting synergistic activity against Pseudomonas aeruginosa via outer membrane disruption
Chen, Y., Wang, W., Lu, W., Huang, X., Hao, H., Ding, L., Singh, I., Zhu, Y. & Zhang, Q., 5 Oct 2026, In: Bioorganic Chemistry. 181, 110287.Research output: Contribution to journal › Article › peer-review
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Double-shell enhanced CO2 capture in metal-organic cage-based porous Liquids
Zuo, M., Wu, X., Dinker, M. K., Zhang, M., Wu, Z., Zhao, L., Li, C., Guo, T., Chen, L., Sun, L. B. & Ding, L., 4 Sept 2026, In: Separation and Purification Technology. 399, p. 138319Research output: Contribution to journal › Article › peer-review
Open Access -
Efficient CO2 Capture and Conversion from Flue Gas Enabled by an Indolo[3,2-b]carbazole-Based Copper Metal–Organic Framework
Qi, H.-O., Li, X.-H., Diao, Z.-J., Li, F., Wu, X., Ding, L., Liu, G. & Sun, L.-B., Jul 2026, In: ACS Materials Letters. 8, p. 2373Research output: Contribution to journal › Article › peer-review
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Engineering LDH-Derived LiCoMnO4 Spinel/MXene Heterostructures via a Dual- Tuning Strategy for Efficient Lithium Extraction from Low-Grade Brines
Sun, P., Huang, T., Yong, R., Wang, Y., Zhao, Y., Huang, C., Zhou, W., Ding, L., Guo, L. & Ding, M., 2026, (Accepted/In press) In: Green Energy & Environment.Research output: Contribution to journal › Article › peer-review
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Fabrication of type I photoresponsive porous liquids by host surface engineering
Liu, Y., Zuo, M., Jin, H.-Y., Wang, Y., Jing, X.-X., Li, Y.-X., Ding, L. & Sun, L. B., Jun 2026, In: AIChE Journal. e70520, p. e70520Research output: Contribution to journal › Article › peer-review
Open Access
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Molecular Simulation Studies of Light induced Water Capture in Metal-Organic Framework
Ding, L. (Supervisor)
Jul 2024Activity: Supervision › Completed SURF Project
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Internal examiner for PhD candidate, Yutong Yang's PhD viva defence
Ding, L. (Other)
Jul 2024Activity: Other
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Theoretical Electrocatalytic Catalyst Design for OER/NORR by DFT and ML
Ding, L. (External PhD examiner)
Jun 2024Activity: Supervision › External examiner for PhD thesis
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Internal examiner for PhD candidate, Shiqi Zhao's PhD viva defence
Ding, L. (Other)
May 2024Activity: Other
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SCI Outreach Team (Event)
Fendos, J. (Member) & Ding, L. (Chair)
1 Nov 2023 → 9 Sept 2024Activity: Membership › Membership of committee