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Date: Fri Feb 3 10:35:58 2023
Subject: 23.02.03 PhD student (m/f/d) in Computational Chemistry (19/2022), Leibniz Institute of Plant Biochemistry, Halle, Germany

PhD student (m/f/d) in Computational Chemistry (19/2022), Leibniz Institute of Plant Biochemistry, Halle, Germany

The Leibniz Institute of Plant Biochemistry in Halle (Saale), a research institute of the Leibniz Association, is offering a three-year position in the frame of a DFG-funded project for a:

PhD student (m/f/d) in Computational Chemistry

starting from 01/03/2023 at the Department of Bioorganic Chemistry within the research group Computational Chemistry.

We are looking for a creative, curious, team-minded, and enthusiastic candidate to join our team to contribute to a project which will focus on the molecular dynamics (MD) and Quantum mechanics/Molecular mechanics (QM/MM) simulations of enzymes and proteins. The goal of project is to investigate enzymatic reaction mechanisms and catalysis using QM/MM molecular dynamics, and machine-learned potentials. The successful candidate has a keen interest and strong skills in theoretical and computational (bio)chemistry, (bio-)physics, computational enzymology, quantum chemistry and a strong interest in interdisciplinary research and collaboration with experimental groups (several partners in Germany and France).

The successful candidate must hold a PhD degree in computational (bio)chemistry or (bio)physics, or a closely related field and is supposed to have a solid command of English communications skills. Applicants should have a strong background in programming and scripting languages (Python or C/C++), Quantum chemistry packages (Gaussian, Tubomole, ORCA,...), molecular dynamics simulation packages (GROMACS or AMBER), QM/MM simulations (Chemshell,..). Prior experience with machine learning methods would be advantageous but not a prerequisite.

The IPB is an international research institute located on the Weinberg-Campus of the Martin-Luther-University Halle-Wittenberg and provides state-of-the-art facilities for research in high performance computing, plant biochemistry/proteomics, cell biology/imaging, and natural products chemistry/metabolomics. The Department of Bioorganic Chemistry offers a multinational, interdisciplinary, and highly stimulating scientific environment. Information about the research group and the IPB can be found on the homepage:

Please, contact Dr. Mehdi D. Davari ( mehdi.davari]_[ ; Phone: 0049 (0) 345 5582 1360) for additional information.

Salary and excellent benefits (social and health insurance) will be based on German laws for employees in the public sector (TVL).

Applications must include a single pdf document via email attachment comprising a cover letter describing research accomplishments and interests, a CV plus publication list, academic transcripts (PhD, master, and bachelor), and contact details of 2-3 referees (or 2-3 recommendation letters). Please send your complete application documents including the reference number 19/2022 exclusively by email to bewerbungen]_[ Applications will be reviewed on a rolling basis until the position is filled.

Please notice our data protection information for applicants (m/f/d) according to Article 13 and 14 GDPR concerning data protection processing in the application process:

The successful applicant with a degree that was not obtained at a German university must, if selected, submit a certificate assessment for foreign university qualifications (Statement of Comparability for Foreign Higher Education Qualifications) from the Central Office for Foreign Education ( ).

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