Shayon Bhattacharya

One fully funded PhD position is available at the University of Limerick in computational modelling of pharmaceutical systems , within the RÍNN Pharma & Biopharma Doctoral Programme . The project is based at the Bernal Institute and is jointly supervised by Professor Damien Thompson and Shayon Bhattacharya . The research sits at the intersection of computational chemistry , computational biology , molecular modelling , pharmaceutical sciences , and biophysics . Depending on the candidate’s background, the work may include molecular dynamics simulations of APIs, excipients, biomolecular systems and cell membranes; enhanced-sampling and free-energy methods; molecular recognition and drug–target interactions; classical force-field development and validation; DFT, quantum-chemical or QM/MM approaches; and scientific programming, data analysis, and high-performance computing. Applicants with a strong background in computational chemistry/biology, molecular modelling, chemical physics, biophysics, pharmaceutical sciences, or a closely related discipline are especially encouraged to apply. Practical experience with GROMACS or LAMMPS , quantum-chemistry methods, Python or other scientific programming, and HPC environments would be advantageous. This is a fully funded PhD opportunity. The deadline is 18 September 2026 at 5:00 p.m. Irish time . Interested candidates must submit an Expression of Interest through the official RÍNN Pharma & Biopharma form; applications or CVs sent only via LinkedIn or direct email will not count as a formal application.

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