Thesis supervisor: Gábor Paragi
Location of studies (in Hungarian): University of Pécs, Doctoral School of Physics, Pécs, Ifjúság Str. 6. Abbreviation of location of studies: FizDI
Description of the research topic:
Computer simulation is a powerful tool for studying molecular systems. In many cases the fundamental question is the interaction of a small molecule with its environment, or the description of the physical and chemical properties of larger systems. Based on the size, number or environment of the interacting molecules, different levels of computational method can help to model the interacting components. Systems with large number of atoms, in particular in the presence of solvent, are usually treated by molecular mechanical (MM) simulations, while molecular systems with a few hundred atoms can nowadays be studied by higher level quantum mechanical (QM) calculations. During his/her PhD studies, the candidate will have to perform molecular simulation on very diverse systems and will therefore need to master both MM and QM level computational methods at a professional level. The computations will be performed mainly on high performance computing (HPC) systems, so the use of HPC systems and programming in Python, C or Fortran will be part of the daily work. As a result, at the end of the PhD studies, the student will have a broad interdisciplinary experience, covering the area of physics, computer simulations, biology, or chemistry.
Required language skills: english Number of students who can be accepted: 1
Deadline for application: 2024-05-31
2024. IV. 17. ODT ülés Az ODT következő ülésére 2024. június 14-én, pénteken 10.00 órakor kerül sor a Semmelweis Egyetem Szenátusi termében (Bp. Üllői út 26. I. emelet).
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