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PostDoc Position (Florida, USA)

par Nord & Ile de France - 9 octobre 2020

We will develop new electronic structure methods to study strongly-correlated systems. The core of our approach will be a flexible formulation of the configuration interaction method that allows us to write any multi-determinant wavefunction using a common framework. I’m currently exploring coupled cluster and quasiparticle wavefunctions, but I also intend to explore more "exotic" wavefunctions, including the application of machine learning-related insights to this problem. I’m also working in the development of a new perturbation theory framework to study these general wavefunctions, as well as embedding techniques to apply these methods to larger systems. Right now, our core code is written in Python, so proficiency in this language is a key skill (part of the code is being migrated to C++, so experience with this language is also desirable). While these will be the main projects, my group is also exploring novel tools to study chemical reactivity and solvation processes, as well as new data-analysis tools based on new similarity indices.

https://www.chem.ufl.edu/about-all/...