Projects per year
Personal profile
Research Interests
- We employ statistical thermodynamics and computational chemistry tools to probe molecular motion and the microscopic structure of matter, which gives insight into their macroscopic properties. Emphasis is on the development of efficient molecular simulation algorithms and accurate force fields for describing the interactions of atoms and molecules of systems of interest.
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We are interested in using computational chemistry tools and experiments to characterise the relationships between microscopic structures and the electronic properties of organic semiconducting materials. The systems of interest to us are conjugated polymers, molecular crystals, light-harvesting complexes and bioelectronics materials.
- The applications of our research are under the umbrella of organic electronics, in which we focus on the discovery of functional materials for organic solar cells and device engineering optimisation.
Personal profile
Hainam Do graduate with a first-class degree in Chemical Engineering from the University of Nottingham UK in 2007. He received his PhD in Computational Chemistry from the same university in 2011, under the supervision of Professor Jonathan Hirst and Dr. Richard Wheatley. After obtaining his PhD, he was awarded a one-year prestigious independent research fellowship from the EPSRC (the EPSRC Doctoral Prize) hosted by the University of Nottingham. Following the Doctoral Prize fellowship, he spent the next three years as a Postdoctoral Research Fellow in the research group of Dr. Nick Besley at the University of Nottingham. In 2014, he joined the research group of Prof. Alessandro Troisi at the University of Warwick and in 2015 he returned to Nottingham to work with Dr. Richard Wheatley. In 2017, he was appointed as an Assistant Professor in Chemical Engineering at the University of Nottingham Ningbo China and was promoted to Associate Professor in 2022.
Teaching
- Advanced Transport Phenemena
- Process Dynamics and Control
- Industrial Process Analysis
Person Types
- Staff
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Collaborations and top research areas from the last five years
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Development and Demonstration of Clean Production Technologies and Intelligent Environmental Assessment Systems for Bioenergy Industries
Liu, S. (PI), Li, B. (CoI), Do, H. (CoI) & Shi, W. (CoI)
1/01/25 → 31/12/26
Project: Government Funded Projects › Vertical-Provincial/Ministerial Government(省部级) Funded Projects
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Novel polymeric acceptors: synthesis, film morphology and all polyer solar cells
Do, H. (PI)
1/01/19 → 31/12/22
Project: Government Funded Projects › Vertical-National Government Funded Projects
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First Principles Derived Equation of States for Carbon Dioxide Capture and Transport
Do, H. (PI)
1/01/19 → 31/12/21
Project: Government Funded Projects › Vertical-National Government Funded Projects
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Combined experimental, theoretical, & machine learning studies of anticorrosion properties of hydroxyethyl cellulose, l-glutamic acid, & potassium acesulfame-derived carbon dots
Solomon, M. M., Amune, U. O., He, X., Wang, H., He, J., Hu, D., Tesema, F. B., Do, H., Mansour, A. A., Salghi, R. & Umoren, S. A., Oct 2025, In: Carbon. 245, 120772.Research output: Journal Publication › Article › peer-review
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Combined experimental, theoretical, & machine learning studies of anticorrosion properties of hydroxyethyl cellulose, L-glutamic acid, & potassium acesulfame-derived carbon dots
Solomon, M. M., Amune, U. O., He, X., Wang, H., He, J., Hu, D., Tesema, F. B., Do, H., Mansour, A. A., Salghi, R. & Umoren, S. A., Oct 2025, In: Carbon. 245, 120772.Research output: Journal Publication › Article › peer-review
1 Citation (Scopus) -
Discovery of a Potent Lysine-Specific Histone Demethylase-1 (LSD-1) Inhibitor for Cancer Treatment via Machine Learning, Molecular Modeling, and In Vitro Validation
Wang, S., Duo, L., Ma, Z., Zhang, Z., Hu, B., Do, H., Hu, B., Stocks, M. J., Ren, J., Falcone, B. N., Hirst, J. D., Yang, G. & Tang, B., 1 Dec 2025, In: Chemistry - A European Journal. 31, 67, e01379.Research output: Journal Publication › Article › peer-review
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Dual-functional carbon material possessing light absorption and heat conduction & energy storage
Qin, Y., Zhu, B., Li, L., Wang, Y., Li, M., Zhang, Z., Zhou, Y., Yang, R., Xu, K., Cai, T., Nishimura, K., Li, B., Wang, Y., Lin, C. T., Deng, L., Do, H., Jiang, N. & Yu, J., Aug 2025, In: Advanced Composites and Hybrid Materials. 8, 4, 313.Research output: Journal Publication › Article › peer-review
Open Access -
Influence of coordination number and ionic radius on metal ion preference and activity of lanthanide-dependent alcohol dehydrogenase: Insights from mutational studies and density functional theory
Wang, L., Liu, K., Song, Z., Do, H., Yang, L., Wu, J., Jiang, L. & Yu, H., Jul 2025, In: Colloids and Surfaces B: Biointerfaces. 251, 114596.Research output: Journal Publication › Article › peer-review
4 Citations (Scopus)