Development of Predictive Scanning Tunneling Microscopy and Spectroscopy Simulation Methods for Novel Materials

One postdoctoral researcher full-time employment position for a maximum of 4 years is available at the Quantum Materials Research Group, Department of Theoretical Solid State Physics, Institute for Solid State Physics and Optics, HUN-REN Wigner Research Center for Physics, Budapest, Hungary, which is funded by the National Research Development and Innovation Office (NKFIH) of Hungary within the National Research Excellence Program (NKKP) ADVANCED project entitled "Development of Predictive Scanning Tunneling Microscopy and Spectroscopy Simulation Methods for Novel Materials" (PREDSTM) led by Dr. Krisztián Palotás. The project started 1 January 2026. The research project deals with theoretical method developments for electron charge and spin tunneling in Scanning Tunneling Microscopy and Spectroscopy (STM/STS) for the application to a wide range of material surfaces, including complex magnets and 2D material heterostructures, following traditional density-functional-theory-based and recently proposed Moiré Plane Wave Expansion approaches. A significant part of the project is focusing on the development of novel machine learning protocols and workflows based on a large set of simulated high-dimensional STM/STS data with the aim of creating a predictive STM/STS tool applicable to diverse material surfaces. Using these new methodological developments we solve emerging technologically relevant problems in surface magnetism and 2D materials research, and build collaboration with leading experimental STM groups. The ideal candidate has: - PhD degree related to computational materials science (theoretical physics or chemistry) - demonstrated expertise in theoretical method developments - demonstrated expertise in machine learning methods applied in the field of computational materials science (strongest requirement) - good command of quantum mechanics and solid state physics, particularly density functional theory and its applications - good programming skills - good communication skills (written and oral English) The funding for the position is available for a maximum of 4 years. The work contract will be made initially for 1 year with a probation period of 3 months, and for a maximum of 4 years with yearly extensions. Renumeration is according to NKFIH NKKP ADVANCED_25 and HUN-REN Wigner RCP rules. Expected starting yearly gross salary is 10,800,000 HUF. The successful applicant will gain considerable research skills in multiscale materials modeling. Moreover, soft skills in programming, problem solving, analytical thinking, teamwork, and international collaborations will be further developed. Supervision of research students is also possible. The project is in part in collaboration with international research groups, and includes regular visits at foreign partners and at international conferences. The application deadline is 9 February 2026. Online interview is conducted with pre-selected candidates in February 2026. Decision will be made by the end of February 2026. The position can be started anytime based on mutual agreement, preferably during spring 2026. Interested candidates should send their application (detailed CV + list of publications + motivation letter + 1 page description of their own machine learning expertise with scientific publications + the name and contact details of 2 academic references) in a single PDF file by the deadline to: palotas.krisztian@wigner.hun-ren.hu More information on the: - supervisor: https://wigner.hu/en/infopages/palotas.krisztian - group: https://wigner.hu/s/long-range-order/ - institute: https://wigner.hu/en - Budapest: https://en.wikipedia.org/wiki/Budapest - Hungary: https://en.wikipedia.org/wiki/Hungary