Peter Puschnig

PhD opportunity at the University of Graz in Theoretical Chemistry / Computational Physics , hosted in the Institute of Physics and linked to Peter Puschnig's group . The project is supervised/recruited through Peter Puschnig and Andreas Windischbacher . The research focuses on expanding the framework of Photoemission Tomography (POT) for complex molecular systems, especially organic polyradicals . The work connects quantum mechanics , electronic structure theory , and computational modeling with experimental comparison to ARPES data. A major goal is to generalize photoemission matrix elements to multi-reference wave function states and implement the formalism in software for multi-reference methods such as CASSCF , NEVPT2 , and MRCI . This is a strong fit for candidates interested in physics , chemistry , materials science , and scientific coding. The post emphasizes both theory development and implementation, so applicants should be comfortable with derivations as well as programming. The scientific context includes applications relevant to spintronics , quantum computing , and photovoltaics . Eligibility highlights: a Master’s degree or equivalent in Physics, Theoretical Chemistry, or Materials Science; strong interest or experience in computational physics/chemistry and quantum mechanics; familiarity with or willingness to learn post-Hartree-Fock methods and quantum chemistry software. Funding: 3-year PhD position at 30h/week. The first year is secured through the UFO project, while the second and third years are expected to be funded via upcoming FWF projects or an ÖAW doc stipendium. How to apply: submit your application by email to [email protected] and [email protected] . No deadline was stated in the post.