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Seminars and workshops of department 26

Seminář / Tuesday, 12.02.2019 10:00

The smallest classical storage unit is a single atom bit. Its recent discovery in form of magnetically bistable holmium single atom magnets on MgO exemplified how miniaturization could be realized down to fundamental limits1 . Here we discuss the experiments leading to the observation of magnetic remanence1 , the reading and writing of single atom magnets 2 , and the investigation of their thermal and magnetic stability3 . Using STM enabled electron spin resonance4,5 , we find a magnetic moment of (10.1±0.1) Bohr magnetons and we prove the magnetic origin of the tunneling bias voltage...

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Seminář / Thursday, 07.02.2019 16:00

Porphyrins are large redox-active π-systems, which makes them interesting components for the construction of molecular wires. Template-directed synthesis can be used to prepare porphyrin nanorings with diameters in the range 2–20 nm, such as the 12-porphyrin nanoring illustrated below (Figure 1). This talk will summarize recent work on charge transport and charge delocalization through these molecules.



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Seminář / Tuesday, 29.01.2019 10:00

Methodology based on the path integral formulation of quantum mechanics offers a computationally tractable way to include nuclear quantum effects in atomistic simulations of extended condensed-phase systems. Here, we will review some of the required theoretical and algorithmic ingredients, with focus on ab initio molecular dynamics simulations. While all static quantities can be calculated numerically exactly, dynamical information can be obtained from these simulations approximately within the framework of centroid or ring polymer molecular dynamics. Equilibrium isotope effects are...

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