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  Advanced Algorithms and Formal Methods for the Design of New Materials


   School of Electrical Engineering, Electronics and Computer Science

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Prof P Spirakis Prof P Krysta Dr O Michail  No more applications being accepted  Funded PhD Project (European/UK Students Only)

About the Project

The project shall focus on the so-called "Crystals Prediction Problem" aiming to predict stable and desirable new crystal structures, and will examine the Complexity of the problem and shall propose advanced algorithms (most possibly approximation techniques) for it. The problem itself is a very interesting case of non-convex optimization. The project shall examine formal methods suitable to the problem.

The candidate is expected to interact with computational chemists and also expected to be able to program some computations in high performance machines.

This PhD Studentship is part of The Leverhulme Centre for Functional Materials Design at the University of Liverpool. The Centre brings together chemical knowledge with state-of-the-art computer science to develop a new approach to the design of functional materials at the atomic scale. Addressing this core design challenge will help society tackle problems such as carbon emissions and clean energy supply, although the benefits are relevant to any sector that uses materials with atomic or molecular scale function.

Qualifications: A BSc degree in Computer Science with emphasis in Algorithms is required.
Some knowledge of Complexity is also required. An MSc in CS-Algorithms is optional.

Funding Notes

The award is primarily available to students resident in the UK/EU and will pay full tuition fees and a maintenance grant for 3.5 years (£14,296 pa in 2016/17).

Non-EU nationals are not eligible for this position and applications from non-EU candidates will not be considered unless you have your own funding

Where will I study?


Project supervisors

Career overview

Professor Paul Spirakis is a member of Academia Europaea and holds a PhD in Computer Science. He is currently a Professor in the School of Computer Science and Informatics at the University of Liverpool, part of the Faculty of Science and Engineering. His research interests lie in algorithms and computing systems. Further details regarding his academic history, specific contributions, or prior positions are not provided in the available profile information.


Research interests

Professor Paul Spirakis''s research interests lie in the fields of algorithms and computing systems. He is particularly focused on the theoretical aspects of computer science, including algorithm design, computational complexity, and the development of efficient algorithms for various computational problems. His work often explores the intersection of computer science with other disciplines, aiming to solve complex problems through innovative computational techniques.

View Professor Paul Spirakis's profile 
Career overview

Professor Piotr Krysta holds an MSc and a PhD and is a Professor in the Department of Computer Science at the University of Liverpool. He is a member of research groups focusing on Algorithms, Complexity Theory, Optimisation, and Economics and Computation. Professor Krysta was awarded the Best Paper Award for Track C at the 39th International Colloquium on Automata, Languages and Programming (ICALP 2012) in 2012. He also received an Emmy Noether Fellowship from the DFG (German National Research Foundation) for the period of 2004 to 2008.


Research interests

Professor Krysta''s research focuses on algorithms, complexity theory, optimisation, and economics and computation. He is involved in research groups that explore these areas, contributing to advancements in understanding computational processes and their applications. He has received recognition for his work, including a best paper award at the 39th International Colloquium on Automata, Languages and Programming (ICALP 2012). Additionally, he was an Emmy Noether Fellow from 2004 to 2008, supported by the German National Research Foundation (DFG).

View Professor Piotr Krysta's profile 

Dr O Michail's profile is coming soon

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