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PhD position in Hamburg on proton migration in p ... (1 reply)
Doctor,
I am very interested by this phd thesis subject. I am currently finishing my master of physics specialized in Materials science at Sorbonne Université in Paris (formerly Université Pierre et Marie Curie), I am now an intern studying electronic structure of impurities complexed with dislocation in silicon for photovoltaic solar cell using DFT. At the university I attended a computational material science class taught by Marco Saitta and Fabio Finocchi where I studied Molecular dynamics, DFT, Monte-Carlo methods. I had last year an introduction to machine learning with tensorflow in the form of a university project. I have a good experience with the softwares CRYSTAL, QUANTUM ESPRESSO, and notions with LAMMPS and I have a good knowledge in various progammation languages (c++, fortran, python). I have always been interested by the bio-nano-objects subject, from protein to entire molecular machine, it's a fascinating topic to understand the complex mechanism occuring inside the living cells. I understand that to explore those complex conformations, machine learning could be a very interesting tool. I am very interested by the methods computing potential and forces with neural networks trained by DFT (cf Jörg Behler work).
I adapt well to new environments, I learn fast. I am available to further elaborate my motivation and competences during an interview.
Best regards,
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Together with Sadia Bari from DESY we are looking for two PhD students (one for the experimental and one for the computational part of the project) on topic 13 at the DASHH Graduate School (see https://www.dashh.org/application/phd_topics/index_eng.html for more info). Sadia Bari's group is conducting incredibly beautiful experiments with proteins using electrospray ionization in combination with XPS. Ab-initio simulations of the electron structure will help to understand how the protons migrate in the proteins and what the structure of the protein looks like. Interested? Send me an e-mail!