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PhD scholarship in computational chemistry - DTU ... (No replies)
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We invite applications for a 3-year PhD scholarship in computational chemistry. The project will involve electronic structure calculations of photoactive organic molecules using a range of high-level excited-state methods. The focus of the investigations will be molecules violating the Hund’s rule with potential applications in biomedical and sustainable energy technologies.
Responsibilities and qualifications
The successful applicant will carry out detailed quantum-chemical studies of organic photoactive molecules exhibiting the inversion of singlet and triplet states; thereby, violating the Hund’s rule. The work will involve state-of-the-art molecular modeling techniques, both for quantitative electronic structure calculations and qualitative wave function analysis. A qualified applicant will have a demonstrated aptitude for computational and theoretical chemistry research. Working knowledge of quantum chemistry at the MSc level and of a modern computer programming language is expected.
To read the full advert and apply, go to: https://efzu.fa.em2.oraclecloud.com/hcmUI/CandidateExperience/en/sites/CX_1/job/2200/?utm_medium=jobshare