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PhD Studentship: Advanced Monte Carlo for Rapid Atomistic Simulations: from Complex Materials to Protein Folding University of Warwick in United Kingdom

Degree Level

PhD

Field of study

Computer Science

Funding

Full funding available

Deadline

Jul 31, 2026

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Country

United Kingdom

University

University of Warwick

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Keywords

Computer Science
Biomedical Engineering
Materials Science
Biology
Mathematics
Computational Science
Statistical Mechanics
Protein Folding
Statistics
Atomistic Simulation
Physics
Computational Materials Science

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About this position

[Home/UK tuition fees plus a tax-free stipend of £21,805 for 3.5 years at the prevailing UKRI rate; international candidates may apply but must cover the fee difference.]

PhD studentship at the University of Warwick in Advanced Monte Carlo for Rapid Atomistic Simulations: from Complex Materials to Protein Folding.

This project develops advanced simulation algorithms for rare transitions between stable states, with applications ranging from complex materials and crystal structures to protein folding. The research is grounded in event-chain Monte Carlo and rejection-free tempering approaches, aiming to build highly accelerated dynamics for multimodal systems. A further goal is to develop AI frameworks to characterise and evaluate the performance of these methods.

The project brings together expertise from the Warwick Centre for Predictive Modelling and Warwick Statistics. Outputs are expected to include open-source software released on GitHub, rigorous documentation, and 2-3 peer-reviewed journal articles. The student will also present at conferences and workshops, and the work is intended to have relevance to computational science, engineering, materials discovery, green energy, and the study of disease-related protein folding.

Funding covers UK tuition fees and a tax-free stipend of £21,805 for 3.5 years at the prevailing UKRI rate. International candidates may apply, but they must cover the difference between UK and international fees. Applicants should have a first or strong 2:1 honours degree in physics, maths, statistics, or a similar field; an MSc or equivalent is preferred. Experience with numerical programming in statistical physics and/or Bayesian computation is desirable.

Apply through the University of Warwick application link by submitting an expression of interest, CV, and supporting statement. Informal enquiries can be sent to [email protected].

Funding details

Full funding including tuition fees and living expenses is available for this position. The scholarship covers all educational costs and provides a monthly stipend.

How to apply

Please submit your application including a cover letter, CV, academic transcripts, and contact information for two references. Applications should be sent via the online portal before the deadline.

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