Profil

Scientific CV of Michal Straka as of Dec 2023

Research interests
Single-molecule switches, endohedral fullerenes, actinide compounds, molecular properties, chemical bonding, relativistic effects in chemistry, theoretical NMR spectroscopy.

Professional positions and employment
2017-present: Senior researcher in Theoretical Bioinorganic Chemistry laboratory at Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague
2008-2016: Senior researcher in Molecular Spectroscopy laboratory at Institute of Organic Chemistry and Biochemistry, Czech Academy of Sciences, Prague
2012-2017: Senior researcher at Central European Institute of Technology, Brno, Czech Republic
2004-2007: Postdoc in theoretical chemistry with Prof. J. Vaara at University of Helsinki
2002-2004: Postdoc in theoretical chemistry with Prof. M. Kaupp at Uni Würzburg

Education and academic degrees
2008: Assoc. Prof. in Theoretical Chemistry at University of Helsinki
1998-2001: PhD in Physical Chemistry with Prof. P. Pyykkö at University of Helsinki.
Thesis “Computational studies of new heavy-element species” defended in November 2001
1996-1998: Research assistant at Faculty of Chemistry, Technical University Brno, CZ
1991-1996: MSc at Faculty of Science, Comenius University, Bratislava, SK

Publication overview
84+ publications, h-index=31/30 (Scopus/WOS), 2450+/2350+ (Scopus/WOS) citations,. High-impact papers: 1x Chem. Rev., IF=72.1, 5x JACS, IF=16.4, 2x Angew. Chem., IF=16.8, 1x Nat. Com., IF=17.7, 3x Chem. Com., IF=6.0, 6x Chem. Eur. J., IF=5.0, 4x J. Chem. Theor. Comp., IF=6.6. 1x Adv. El. Mat. IF=6.2 ORCID: 0000-0002-7857-4990, Researcher ID: E-5246-2011, Scopus ID: 7004567214. 5 cover pages (ChemRev, ChemPhysChem, CEJ, PCCP, J Comp Chem).

Patents
Polášek M., David T., Straka M., Jaroš A. Compounds for complexation of rare earth elements and/or s-, p-, d- block metals, their coordination compounds, peptide conjugates, method of their preparation and use thereof. Patent application PCT/CZ2022/050087, 2022
 
Community services & Outreach activities
2016-19,22-25: Reviewer for Panel 208 (Physical Chemistry) of the Czech Science Foundation
2017- A number of public lectures yearly on “How to write MSCA proposal”
2012- External reviewer for EU MSCA Grants, Chemistry & Physics panels
2005- Regular reviewer for ACS, Elsevier, RSC, Willey (~10 reviews yearly)


Vybrané publikace

Spinristor: A Spin-Filtering Memristor
Spinristor: A Spin-Filtering Memristor
Advanced Electronic Materials 9 (8): 2300360 (2023)
In this paper, an in silico proof of concept of a spinristor is proposed and provided; a new electronic component that combines a spin-filter and a memristor in a single molecule, useful for in-memory processing. It builds on the idea of an open-shell transition metal ion enclosed within an elliptical fullerene connected to a pair of electrodes. The spin- and electronic-polarization induced by the enclosed open-shell metallic ion leads to differential rectification of the electrons at low voltages applied between the source–drain electrodes, VSD. The position of the encapsulated ion can be switched by a high VSD which leads to a change in the direction of the rectification and the spin-filtering ratio. The system can thus be used as a switching rectifier, that is, a memristor and a spin-filter; therefore, a spinristor. The effect of different linkers on the function of the proposed device is further analyzed to show that linkers reduce the overall conductivity by an order of magnitude…
Relativistic Heavy-Neighbor-Atom Effects on NMR Shifts: Concepts and Trends Across the Periodic Table
Chemical Reviews 120 (15): 7065–7103 (2020)
Spectroscopic and Computational Evidence of Intramolecular AuI⋅⋅⋅H+−N Hydrogen Bonding
Angewandte Chemie International Edition 58 (7): 2011-2016 (2019)
Fullerene-Based Switching Molecular Diodes Controlled by Oriented External Electric Fields
Journal of the American Chemical Society 141 (50): 19644-19654 (2019)

Nejnovější publikace

Endohedrální fullereny: od exotických chemických vazeb po molekulární obvody
Chemické listy 118 (4): 190-194 (2024)
Exploring the impact of alignment media on RDC analysis of phosphorus-containing compounds: a molecular docking approach
Physical Chemistry Chemical Physics 26 (3): 2016-2024 (2024)
Unraveling actinide–actinide bonding in fullerene cages: a DFT versus ab initio methodological study
Physical Chemistry Chemical Physics 25 (45): 31500-31513 (2023)
Spinristor: A Spin-Filtering Memristor
Advanced Electronic Materials 9 (8): 2300360 (2023)