Zhiwen Zhong is a Postdoctoral Research Associate in the Department of Chemistry at King’s College London. His research focuses on molecular dynamics simulations and machine learning approaches for biomolecular and polymer systems across multiple spatial and temporal scales.

His work combines atomistic and coarse-grained simulations with data-driven modelling to investigate structure–property relationships in biological and soft-matter systems. During his PhD at King’s College London, supervised by Professor Martin Ulmschneider and Professor Chris Lorenz, he studied membrane protein interactions and peptide–membrane systems using multiscale molecular dynamics simulations.

Currently, his postdoctoral research, working with Dr Francisco J. Martin-Martinez, focuses on polyhydroxyalkanoate (PHA) biomaterials. He develops computational models and simulation workflows to investigate enzyme–polymer interactions and predictive modelling approaches for sustainable biomaterials.

His broader research interests include computational biophysics, biomolecular modelling, polymer simulations, AI for science, and high-performance computing.

Research Interests

• Coarse-grained and atomistic simulations
• Machine learning for molecular science
• Polymer and biomaterials simulations
• Polyhydroxyalkanoate (PHA) materials
• AI for science and data-driven modelling