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PhD position: Self-adapting numerical methods fo ... (No replies)
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Group: Mathematics for Materials modelling (matmat.org), Institute of Mathematics & Institute of Materials, EPFL
More details: https://matmat.org/jobs
Deadline: Continuous until a suitable candidate has been found.
Summary:
Density-functional theory (DFT) is an indispensable tool for the computational discovery of novel materials, where remarkable progress has been made in recent years to automatise calculations. However, robustness of numerical schemes remains a limiting factor at the scale of high-throughput screening with tens of thousand of materials being modelled. The activities of the MatMat group revolve around understanding modern materials simulations from a mathematical point of view – and to develop algorithms to make such simulations faster, quantify their errors or make them more reliable.
In this project you will develop numerical techniques for DFT, which automatically adapt to the simulated material on the fly. You will extend existing results in numerical analysis to develop novel preconditioners as well as adaptive basis selection techniques. Your methods will be implemented into codes such as the density-functional toolkit (DFTK) as well as the SIRIUS electronic structure library, such that they can be tested in the high-throughput context. You will be integrated into the interdisciplinary materials simulation activities at EPFL, e.g. within the NCCR MARVEL, and collaborate with physicists, mathematicians and computer scientists from EPFL, Switzerland and abroad.
Your profile:
* You have an excellent academic track record and are highly motivated to become an independent researcher in a fascinating interdisciplinary field.
* You have a sense of autonomy and independence, but also enjoy being part of a diverse team.
* You have completed a Master (or 4-year Bachelor) in physics, mathematics or a related subject. Candidates who will complete their degree within the next months are also welcome to apply.
* You have a broad background in computational physics, numerical mathematics or computer science and you look forward to acquiring expertise in domains beyond your current background.
* You have an interest in numerical methods, their implementation and application to physics and materials simulations. You have strong programming skills with prior experience in an HPC language like C++, FORTRAN or Julia.
* You are fluent in written and oral English.
* Bonus skills for this application are experience in numerical analysis, quantum physics, solid-state physics or Julia programming.
What is offered:
You will become part of a young and energetic team, fully integrated with both the mathematics and the materials institutes as well as cross-disciplinary initiatives. As part of the project you will collaborate with researchers from diverse backgrounds and acquire the broad skillset required to become a successful independent researcher in this exciting field. The current regulations regarding salary and working conditions can be found on https://matmat.org/jobs.