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Peter Puschnig

4 weeks ago

PhD in Theoretical Chemistry / Computational Physics on Photoemission Tomography University of Graz

Degree Level

PhD

Field of study

Computer Science

Funding

Full funding available

Country

-

University

University of Graz

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Keywords

Computer Science
Chemistry
Materials Science
Quantum Chemistry
Quantum Mechanics
Computational Physics
Quantum Computing
Electronic Structure
Photovoltaic
Spintronic
Physics
Emission Tomography

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About this position

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.

Funding details

Full funding including tuition fees and living expenses is available for this position. The scholarship covers all educational costs and provides a monthly stipend.

How to apply

Please submit your application including a cover letter, CV, academic transcripts, and contact information for two references. Applications should be sent via the online portal before the deadline.

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