Dr. Mindaugas Mačernis

Doc. dr. Mindaugas Mačernis

Phone: +370 522 34 659

E-mail: 

Facebook: https://www.facebook.com/profile.php?id=100013056335350

Institute of Chemical Physics (ICP)

Theoretical chemical physics (quantum chemistry)

Associate professor

Supercomputing, HPC, quatum computing, quantum information, quantum chemistry, carotenoids

https://orcid.org/0000-0003-1343-8880

1. Mikalciute, A., et al., Structure-based model of fucoxanthin-chlorophyll protein complex: Calculations of chlorophyll electronic couplings. Journal of Chemical Physics, 2022. 156(23).
2. Macernis, M., et al., Electronic and Vibrational Properties of Allene Carotenoids. Journal of Physical Chemistry A, 2022. 126(6): p. 813-824.
3. Mačernis, M., et al., Mechanism of Proton Transfer in Bacteriorhodopsin. Lithuanian Journal of Physics, 2022. 62(3): p. 127–141.
4. Macernis, M., et al., Raman study for beta-ring positioning in beta-Carotene complexes with Cyclodextrins and Chitooligosaccharides. Journal of Molecular Structure, 2021. 1226.
5. Karpicz, R., et al., Unusual temperature dependence of the fluorescence decay in heterostructured stilbene. Physical Chemistry Chemical Physics, 2021. 23(5): p. 3447-3454.
6. Streckaite, S., et al., Modeling Dynamic Conformations of Organic Molecules: Alkyne Carotenoids in Solution. Journal of Physical Chemistry A, 2020. 124(14): p. 2792-2801.
7. Dementjev, A., et al., Characterization of thymine microcrystals by CARS and SHG microscopy. Scientific Reports, 2020. 10(1).
8. Macernis, M., NONLINEAR CORRELATIONS BETWEEN nu(1) RAMAN BAND AND GLOBAL SCALAR PROPERTIES FOR DIFFERENT LENGTH CAROTENOIDS. Lithuanian Journal of Physics, 2018. 58(4): p. 358-378.
9. Macernis, M., On the Dimers Stability of Allicin and Its Derivatives Interacting with AT, GC, and DNA Bridge: DFT Study. Journal of Chemistry, 2017. 2017.
10. Macernis, M., et al., Resonance Raman Spectra of Carotenoid Molecules: Influence of Methyl Substitutions. Journal of Physical Chemistry A, 2015. 119(1): p. 56-66.

• EuroCC (NCC Lithuania), European High-Performance Computing Joint Undertaking (JU) under grant agreement No 951732. The JU receives support from the European Union’s Horizon 2020 research and innovation programme and Germany, Bulgaria, Austria, Croatia, Cyprus, the Czech Republic, Denmark, Estonia, Finland, Greece, Hungary, Ireland, Italy, Lithuania, Latvia, Poland, Portugal, Romania, Slovenia, Spain, Sweden, the United Kingdom, France, the Netherlands, Belgium, Luxembourg, Slovakia, Norway, Switzerland, Turkey, Republic of North Macedonia, Iceland, Montenegro. 2020-2022
• Lithuanian GRID High Performance Computing Network (LitGrid-HPC) (01.1.1-CPVA-V-701-08-0004), 2016 - 2022;
• COST Project: EUROCAROTEN - European network to advance carotenoid research and applications in agro-food and health, no. CA15136, 2016-2020

• 4th Edition of World Nanotechnology Conference, 2022 USA
• Hanseatic Workshop on "Exciton Dynamics and Spectroscopy", 2022 Vilnius
• EGI2022, 2022 Prague

• Jonas Franukevičius;
• Laurynas Diska;

• Introduction into Quantum Computer;
• Data compression and quantum information;
• Database management systems;
• Object programming;
• Classical and Quantum Molecular Dynamics;

yes

Participation in the national/international governing bodies, commissions, committees, boards etc.

• Head of HPC (supercomputer "VU HPC" Saulėtekis) laboratory;
• Head of study committee "Computing Physics and Modelling"
• Member of study committee "Physics"
• Head of NCC Lithuania (Competence center for supercomputing (HPC))

• Organizer of the Workshops 
• Member Scientific Committees;
• Reviewer for scientific papers and projects (ERC, Europe HPC centers, etc.)

• Modeling Allicin molecule influence on DNR, Prize for research of young scientists, Lithuanian Academy of Sciences, 2015

• Participating in events of "Erdvėlaikis žemė";
• EuroCC - Supercomputing Centre of Excellence
• Commentaries on TV, in the press
• RedHat academy 
• MATLAB academy (for HPC)

• Educational books
• Websites

http://web.vu.lt/ff/m.macernis/