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Shayon Bhattacharya

1 month ago

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 flag

Country

Ireland

University

University of Limerick

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Keywords

Computer Science
Chemistry
Biomedical Engineering
Biophysics
Biology
Quantum Chemistry
Computational Chemistry
Molecular Modeling
Molecular Dynamics
Computational Biology
Pharmacy
High Performance Computing
Dft
Programming Language
Physics

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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Professors

Professor

University Name
Country flag

Ireland

Research Interests

Polymer Chemistry

Biochemistry

Protein Chemistry

Self-assembly

Molecular Electronics

Associate Professor

University Name
Country flag

Ireland

Research Interests

Pharmaceutical Chemistry

Biochemistry

Self-assembly

Protein Chemistry

Crystallization