Post-Doctoral Research Associate: Theoretical Chemistry/Theoretical Materials Science (Fixed Term)

Fixed-term: The funds for this post are available for 2 years in the first instance.

Applications are invited for post-doctoral research associates to join the group of Professor Angelos Michaelides at the Department of Chemistry at the University of Cambridge (https://www.ch.cam.ac.uk/group/michaelides ).

The projects will involve the development and application of approaches for treating complex intermolecular interactions in the condensed phase and at surfaces, with a particular emphasis on the development and application of first principles and/or machine learning approaches.

Research in the Michaelides group involves computer simulations of catalytic and environmental interfaces, aiming at reaching fundamental new understanding of elementary processes at such interfaces. As part of our work, we also seek to develop and improve current simulation methods (quantum and classical) to study such systems.

The overarching aim of the post-doctoral position is to develop and apply computational approaches that enable an accurate description of complex condensed phase systems. Topics of interest are molecular adsorption, molecular crystals, 2D materials, and nano-confinement. The project builds upon recent work in the group (see e.g. Proc. Nat. Acad. Sci. 122(9):e2416932122 (2025), Nature Comms 15, 7301 (2024), J. Am. Chem. Soc. 145 (46), 25372 (2023), Nature 609, 512 (2022); ACS Nano 16, 10775 (2022); Science 372, 1444 (2021); Proc. Nat. Acad. Sci. 118 (38), e2110077118 (2021)). It is funded as part of the "n-aqua" ERC project and will be carried out in collaboration with leading international groups in ENS Paris and the Max Planck Institute for Polymer Research in Mainz.

Day to day, the project will involve development and application of a range of theoretical and simulation approaches. This will include, but is not limited to: electronic structure methods (density functional theory and "beyond"), classical atomistic, and machine learning methods. The duties/responsibilities of this post include developing and driving research objectives, writing up work for presentation and publication, collaborating with experimental partners, assisting in the supervision of student research projects, and delivering seminars and occasional talks.

The successful candidates will have a strong background in the treatment of surface and/or interface systems with electronic structure and/or machine learning methods, including (or be about to obtain) a PhD in a relevant area. The ability to work both as part of a team, and independently, coupled with excellent communication, organisational and problem-solving skills are required.

You will join a group currently comprised of an interdisciplinary mix of chemists, physicists, mathematicians and engineers. The group seeks to carry out world-class science through a strong emphasis on teamwork and we strive to provide a fun and supportive environment for all members of the team. A strong emphasis is also placed on career development.

Click the 'Apply' button below to register an account with our recruitment system (if you have not already) and apply online.

Please ensure that you upload your Curriculum Vitae (CV), a covering letter describing your suitability for the position, and a full list of your publications in the upload section of the online application. Please also upload what you consider to be your two most important papers and in the covering letter write a concise one-sentence statement on why each paper is important. If you upload any additional documents that have not been requested, we will not be able to consider these as part of your application.

For queries regarding applying online for this post, please contact Professor Angelos Michaelides (email: am452@cam.ac.uk )

Please quote reference MA45794 on your application and in any correspondence about this vacancy.

The Department holds an Athena SWAN silver award for women in Science, Technology, Engineering, Mathematics, and Medicine.

The University actively supports equality, diversity and inclusion and encourages applications from all sections of society.

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