Dhiman Ray

I will be starting as a tenure-track assistant professor at the Department of Chemistry and Biochemistry, University of Oregon, USA in Fall 2024.

Currently, I am a Postdoctoral researcher with Prof. Michele Parrinello in the Atomistic Simulations Research Line at the Italian Institute of Technology, Genoa, Italy. My current research is in the broad area of Machine Learning and Molecular Dynamics, with a particular focus on developing AI-based methods for calculating free energy, kinetics, and transition pathways of rare event processes in biomolecules including ligand-receptor binding and protein folding. 

I received my Ph.D. in March 2022 from the Department of Chemistry at the University of California, Irvine, USA, working with Prof. Ioan Andricioaei. During my Ph.D. I led the development of path sampling methods using Weighted Ensemble and Milestoning for molecular dynamics simulation. I also employed graph network modeling approach to study allosteric effects in SARS-CoV-2 spike protein and antigen-antibody interactions. Alongside, I used Markov State Models to study the Hoogsteen base pairing in DNA and RNA. 

I obtained my Integrated BS-MS degree in Chemical Sciences from the Indian Institute of Science Education and Research (IISER) Kolkata, India in 2018. For my Master's Thesis, I worked on the quantum dynamics of gas surface reactions in heterogeneous catalysis. 

Apart from my science, I am enthusiastic about traveling, photography, and food!