We have open a postdoctoral position in Nanosurf Lab at Institute of Physics of the Czech Academy Sciences, Prague, Czech Republic (https://nanosurf.fzu.cz/ ). We seek for highly motivated young researcher having  PhD degree In condensed matter physics, material science or physical chemistry. The candidate should have solid knowledge of quantum solid state physics/quantum chemistry. Knowledge of some programming language is desirable.

The candidate will be involved in some of following research lines:

1. Simulation of reaction mechanisms of on-surface reactions

The aim is to explore in details reaction mechanisms of selected cases of on-surface reactions towards formation of novel molecular compounds not achievable by solution chemistry. The DFT and  QM/MM simulations should shed light on available experimental data as well as to search for new reaction mechanism to stimulate new experiments.

Relevant references: Nat. Commun. 11 (2020) 4567(1) - 4567(8); Angew. Chem. Int. Ed. 58 (2019) 18591 – 18597; J. Am. Chem. Soc. 143 (2021) 14694 – 14702

2. Electronic structure of 1D molecular systems using beyond DFT methods

Modelling of electronic structure of multiradical molecular systems using many-body calculations (CAS, DMRG) including the ground and excited states. Interpretation of experimental dI/dV maps of multiradical molecules in terms of Dyson and natural transition orbitals.

Relevant references: J. Phys. Chem. Lett. 12 (2021) 330 – 336; J. Am. Chem. Soc. 143 (2021) 14694 – 14702; Nano Lett. 21 (2021) 861 - 867.

3. Study of topological phase transition in p-conjugated 1D systems with model Hamiltonians

Research will focus on deeper theoretical understanding of quantum phase transition in p-conjugated molecular systems, the role of e-e and e-ph interaction in topological transition as well as spin symmetry breaking.

Relevant references: Nature Nanotech. 15 (2020) 437 – 443; Adv. Mater. 33 (2021) 2104495(1) - 2104495(9). Nature Nano https://doi.org/10.1038/s41565-021-01042-8

4. Theory of scanning probe microscopy (atomic scale KPFM, IETS spin-excitations )

Development of atomic-scale theory of scanning probe microscopy with aim to push further current limits of these microscopes. The research will be conducted in very tight collaboration with in-house UHV- low-temperature SPM experiments Goals: i) imaging of many-body molecular Dyson orbitals; ii) atomic-scale measurement of local polarization of electron densities; iii) spin-excitations in multiradical molecules.

Relevant references: Science 374 (2021) 863 – 867; arXiv:2201.03627

All the research lines will be conducted with tight collaboration with in-house experimental activities as well as in collaboration with internationally renowned experimental groups. The Nanosurf Lab focuses on studies of low-dimensional molecular systems, benefiting from tight synergy between in-house theoretical and experimental research. More information about the Nanosurf Lab can be found here ( https://nanosurf.fzu.cz/ ). The contract is for 2 years and it can be optionally extended upon mutual agreement.

Candidates should send CV with list of publications, a short motivation letter as well as 2 references by email to pavel.jelinek[at]fzu.cz. The position is available immediately. There will be continuous evaluation of candidates until the position will be filled.