Shayon Bhattacharya
1 month ago
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Fully Funded PhD in Computational Modelling of Pharmaceutical Systems at University of Limerick University of Limerick in Ireland
Degree Level
PhD
Field of study
Computer Science
Funding
One fully funded PhD position is available.
Deadline
Sep 18, 2026
Country
Ireland
University
University of Limerick
Suggested positions
Keywords
About this position
One fully funded PhD position is available at the University of Limerick in computational modelling of pharmaceutical systems, within the RĂŤNN 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 RĂŤNN Pharma & Biopharma form; applications or CVs sent only via LinkedIn or direct email will not count as a formal application.
Funding details
One fully funded PhD position is available.
What's required
Applicants should have a strong background in computational chemistry, computational biology, molecular modelling, chemical physics, biophysics, pharmaceutical sciences, or a closely related discipline. Practical experience with molecular-dynamics software such as GROMACS or LAMMPS, quantum-chemistry methods, Python or other scientific programming, and HPC environments would be advantageous.
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Review drafts and confirm requirements with the university.
Professors
Professor
Ireland
Research Interests
Polymer Chemistry
Biochemistry
Protein Chemistry
Self-assembly
Molecular Electronics
Associate Professor
Ireland
Research Interests
Pharmaceutical Chemistry
Biochemistry
Self-assembly
Protein Chemistry
Crystallization
Make your next move.
Prepare your application
Review drafts and confirm requirements with the university.