RSC FIRST 2026: AI in Chemistry

Professor Jing Ma is Professor of Chemistry at the School of Chemistry, Nanjing University. She received her PhD in physical chemistry from Nanjing University in 1998 and subsequently held a Japan Society for the Promotion of Science (JSPS) Postdoctoral Fellowship at Gifu University, Japan, from 1998 to 2000. She returned to Nanjing University as an Associate Professor in 2000 and was appointed Professor in July 2005. Her research centres on the development of electronic structure and molecular simulation methods, and on extending them to a broad range of functional material systems.

Professor Ma's group works across five interrelated themes: computational chemistry of surface and interfacial interactions and catalytic reactions; machine learning and deep learning approaches to the rational design of materials and reactions; solvation, electrostatic polarisation and statistical models for complex systems; stimuli-responsive monolayers and host–guest assemblies for organic electronic and sensor applications; and the prediction of physical properties such as solubility, viscosity and conductivity through molecular dynamics simulation and quantum chemical calculation. Her work has appeared in journals including Nature Chemistry, the Journal of the American Chemical Society, the Journal of Chemical Theory and Computation and npj Computational Materials.

She is the recipient of a number of national honours, among them the National Science Fund for Distinguished Young Scholars (2008), the Fok Ying Tong Education Foundation Young Teacher Award (2008), the Chinese Young Women in Science Fellowship (2012) and the Outstanding Young Chemist Award of the Chinese Chemical Society (2003), as well as the first prize in Natural Science of the Ministry of Education (2019). She currently serves as a Senior Editor of Langmuir and sits on the editorial advisory boards of the Journal of Chemical Theory and Computation, the Journal of Physical Chemistry Letters and Acta Physico-Chimica Sinica.

Research Group website

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