Postdoctoral positions on computational quantum mechanics

Call for two 1-year renewable Post-Doctoral positions, at École des Pont ParisTech, under the supervision of  Eric Cancès, in the framework of the ERC Synergy project on "Extreme-scale Mathematically-based Computational Chemistry" (EMC2). The goal of these positions is, in interaction with the rest of the EMC2 interdisciplinary team, to develop mathematical analysis and numerical methods for electronic structure calculation.

 

1. Institution presentation

École des Ponts ParisTech is an institution of higher education and research in the field of science, engineering and economics. Under the supervision of the Ministry of Ecological and Solidarity Transition (MTES) and with an EPSCP status (Public Scientific, Cultural and Professional Establishment), its missions concern research, training and continuing education, the dissemination of knowledge, and the transfer to economic sectors and support for business creation.

The research at École des Ponts ParisTech is characterized by a balanced effort in the following scientific activities:

- Outstanding academic research, evaluated at the highest level by the HCERES (highest council for research), with 5 ERC, more than 1000 publications of rank A per year, a hundred Ph.D. theses supported per year,

- Partnership research with companies, public entities and local authorities.

CERMICS, the applied mathematics department of École des Ponts ParisTech, has been developing a long-term research activity in the field of molecular simulation for materials science, chemistry and biology, in partnership with Inria, in the framework of the MATHERIALS project-team (https://team.inria.fr/matherials/).

2. EMC2 project 

Molecular simulation has become an instrumental tool in chemistry, condensed matter physics, molecular biology, materials science, and nanosciences. The ambition of the EMC2 project is to achieve scientific breakthroughs in this field by gathering the expertise of a multidisciplinary community at the interfaces of four disciplines: mathematics, chemistry, physics, and computer science.

The project gathers 15 permanent researchers and 28 PhD students and postdocs from Ecole des Ponts ParisTech, Sorbonne University, Inria, and EPFL.

More information on the project is available on the project website: https://erc-emc2.eu

3. Positions descriptions

The first project is concerned with the construction and implementation of numerical methods with error estimators for linear and nonlinear Schrödinger equations, such as notably, the Kohn-Sham equations in Density Functional Theory (DFT). The candidates are expected to have a strong background in numerical methods for partial differential equations and good programming skills in at least one of the following languages: Julia, Python, or C++. The implementation part of the project will be done in the DFTK software (https://github.com/JuliaMolSim/DFTK.jl) originally developed in the framework of the EMC2 ERC project.

The second project is concerned with model reduction and embedding methods for electronic structure calculation. This problem will be considered from both theoretical and practical viewpoints. The candidates are expected to have a strong background in linear algebra and/or linear operator theory, and a solid experience in numerical simulation.

Applicants should be able to work independently and in a team to produce, publish, and present research results in top quality journals. They should also be able to assist in the supervision of students, help with the preparation of project deliverables, and present their research in academic conferences and seminars.

4. Applications

Candidates are welcome to apply to one of these positions, or both. Due to the interdisciplinary nature of these positions, applicants with a PhD in applied mathematics, or theoretical/computational physics or chemistry with a strong mathematical background and excellent programming skills, will be considered. 

Please send a CV and a cover letter that specifies employment availability date, contact information of at least two academics who can provide reference letters upon request, and examples of past projects to eric.cances@enpc.fr with 'EMC2 postdoc application' as a topic.

Timeline: Applications expected by Nov. 21st, 2023. Candidate selection and interview might be conducted as soon as the application is received, and might last until Dec. 8th. The starting date is expected between Feb. 1st 2024 and April 1st 2024. 

Contract: 1 year contract renewable once. 

Location: Position based in CHAMPS-sur-MARNE (cité Descartes) - France Access: RER A, 25 minutes from Paris city center.