Ústav informatizácie, automatizácie a matematiky

Ing. Marián Gall, PhD.

Pracovné zaradenie:
Tajomník ústavu
Tajomník oddelenia
Pedagogický pracovník
Oddelenie:
Oddelenie matematiky (OM)
Miestnosť:
NB 619
eMail:
Telefón:
+421 259 325 344
Vedecká činnosť:
kvantová chémia; programovanie: C/C++, python; paralelné a GPU programovanie v HPC prostredí; aplikovaná matematika; neurónové siete
Dostupnosť:

Publikácie

Kniha

  1. M. Gall – Z. Takáč – T. Visnyai – S. Cesnaková: Základy matematiky, Fakulta chemickej a potravinárskej technológie, 2020.
  2. S. Beláková – M. Gall – Z. Takáč: ZÁKLADY MATEMATIKY pre technické odbory, Nakladateľstvo STU, 2012.

Kapitola alebo strany v knihe

  1. M. Gall: Experience with STACK in teaching of mathematics, V ZAMAT 2014, Proceedings of Applied Mathematics and Informatics, Editor(i): A. Kolesárová, M. Nehéz, str. 59–64, 2014.

Článok v časopise

  1. L. Bučinský – M. Gall – J. Matúška – M. Pitoňák – M. Štekláč: Advances and critical assessment of machine learning techniques for prediction of docking scores. International Journal of Quantum Chemistry, zv. 123, str. 1–17, 2023.
  2. L. Bučinský – D. Bortňák – M. Gall – J. Matúška – V. Milata – M. Pitoňák – M. Štekláč – D. Végh – D. Zajaček: Machine learning prediction of 3CL(pro) SARS-CoV-2 docking scores. Computational Biology and Chemistry, č. 107656, zv. 98, 2022.
  3. M. Jablonský – M. Štekláč – V. Majová – M. Gall – J. Matúška – M. Pitoňák – L. Bučinský: Molecular docking and machine learning affinity prediction of compounds identified upon softwood bark extraction to the main protease of the SARS-CoV-2 virus Slovenský názov:. Biophysical Chemistry, č. 106854, zv. 288, 2022.
  4. M. Malček – K. Čermáková – P. Rapta – M. Gall – L. Bučinský: Tailoring the hydrogen storage performance of the Cr-, Mn-, and Fe-doped circumcoronenes by the presence of N and B co-dopants: Computational study. International Journal of Hydrogen Energy, č. 47, zv. 81, 2022.
  5. N. Krivoňáková – A. Šoltýsová – M. Tamáš – Z. Takáč – J. Krahulec – A. Ficek – M. Gál – M. Gall – M. Fehér – A. Krivjanská – I. Horáková – N. Belišová – A. Butor Škulcová – P. Bímová – T. Mackuľak: Mathematical modeling based on RT‑qPCR analysis of SARS‑CoV‑2 in wastewater as a tool for epidemiology. Scientific Reports, č. art. no. 19456, zv. 11, str. 1–10, 2021.
  6. T. Csanádi – M. Gall – M. Vojtko – A. Kovalčíková – M. Hnatko – J. Dusza – P. Šajgalík: Micro scale fracture strength of grains and grain boundaries in polycrystalline La-doped β-Si3N4 ceramics. Journal of the European Ceramic Society, č. 14, zv. 40, str. 4783–4791, 2020.
  7. M. Malček – B. Vénosová – I. Jelemenská – J. Kožíšek – M. Gall – L. Bučinský: Coordination bonding in dicopper and dichromium tetrakis(mu-acetato)-diaqua complexes: Nature, strength, length, and topology. Journal of Computational Chemistry, č. 7, zv. 41, str. 698–714, 2020.
  8. M. Gall – L. Bučinský – S. Komorovsky: General build up of K basis and K matrix in the diagonalization approach. Determination of Kramers configuration state functions. International Journal of Quantum Chemistry, č. 16, zv. 118, 2018.
  9. P. Herich – L. Bučinský – M. Breza – M. Gall – M. Fronc – V. Petříček – J. Kožíšek: Electronic structure of two isostructural “paddle-wheel” complexes: a comparative study.. Acta Crystallographica Section B-Structural Science, č. 6, zv. 74, str. 681–692, 2018.
  10. L. Bučinský – G. Büchel – R. Ponec – P. Rapta – M. Breza – J. Kožíšek – M. Gall – S. Biskupič – M. Fronc – K. Schiessl – O. Cuzan – D. Prodius – C. Turta – S. Shova – D. Zajac – V. Arion: On the electronic structure of mer,trans-[RuCl3(1H-indazole)2(NO)], a hypothetical metabolite of the antitumor drug sandidate KP1019: an experimental and DFT study. European Journal of Inorganic Chemistry, str. 2505–2519, 2013.
  11. A. Soroceanu – M. Cazacu – S. Shova – C. Turta – J. Kožíšek – M. Gall – M. Breza – P. Rapta – T. Mac Leod – A. Pombeiro – J. Telser – A. Dobrov – V. Arion: Copper(II) Complexes with Schiff Bases Containing a Disiloxane Unit: Synthesis, Structure, Bonding Features and Catalytic Activity for Aerobic Oxidation of Benzyl Alcohol. European Journal of Inorganic Chemistry, str. 1458–1474, 2013.
  12. M. Gall – M. Breza: QTAIM study of transition metal complexes with cyclophosphazene-based multisite ligands II. Cobalt(II) complexes. Polyhedron, zv. 31, str. 570–574, 2012.
  13. M. Gall – M. Breza: On electronic structure of tris(dimethylamino)sulphonium heptafluoro-oxocyclotetraphosphazenate. Journal of Molecular Structure: THEOCHEM, zv. 894, str. 32–35, 2009.
  14. M. Gall – M. Breza: QTAIM study of transition metal complexes with cyclophosphazene-based multisite ligands I: Zinc(II) and nickel(II) complexes. Polyhedron, zv. 28, str. 521–524, 2009.
  15. M. Gall – M. Breza: On the structure of hexahydroxocyclotriphosphazene. Journal of Molecular Structure: THEOCHEM, zv. 861, str. 33–38, 2008.

Príspevok na konferencii

  1. M. Gall – L. Bučinský – M. Štekláč – J. Matúška – M. Pitoňák: Neural Networks Prediction of Docking Scores. V XXIX. International Conference on Coordination and Bioinorganic Chemistry, str. 29–29, 2024.
  2. M. Gall – M. Pitoňák: Improved docking score predictions with a fragment-oriented multi-scale graph attention model. V 17th International Congress of Quantum Chemistry, str. 338–338, 2023.
  3. M. Štekláč – L. Bučinský – M. Gall – J. Matúška – M. Pitoňák: Utilization of machine learning for prediction of docking scores. V European Conference on Computational & Theoretical Chemistry, str. 282–282, 2023.
  4. M. Gall – J. Kožíšek: Electronic structure of copper (II) complex Cu(N(C(NH)OCH3)2)2. V International Charge Density Meeting, 2019.
  5. M. Gall – P. Šajgalík – Z. Lenčeš: Ab initio simulation of crack propagation in La and Lu-doped β-S3N4. V XXVII. International Conference on Coordination and Bioinorganic Chemistry, 2019.
  6. M. Gall: Teaching mathematics using STACK in Moodle. Editor(i): Miroslav Hrubý, Pavlína Račková, V Matematika, informační technologie a aplikované vedy (MITAV 2018), Univerzita obrany v Brne, str. 30–31, 2018.
  7. M. Gall – J. Kožíšek: Agostic Cu-H interaction - charge density study of bis(clonixato) bis(imidazole)copper(II) complex. V XXVI. International Conference on Coordination and Bioinorganic Chemistry, 2017, str. 43–43, 2017.
  8. M. Gall – J. Kožíšek: Electronic structure of coordination polymer Mn(HCOO)2(H2O)2. V 7th European Charge Density Meeting, str. 118–118, 2016.
  9. N. Krivoňáková – M. Gall: The Need to Implement E-Course to the basics of university mathematics education. Editor(i): Richtarikova D.,Szarkova D.,Balko L., V APLIMAT 2016 - 15th Conference on Applied Mathematics 2016, Slovak University of Technology in Bratislava, str. 734–739, 2016.
  10. M. Breza – M. Gall: On magnetic properties of Cu(II) and Cr(II). V XXV. International Conference on Coordination and Bioinorganic Chemistry, str. 18–26, 2015.
  11. M. Gall – Z. Lenčeš – P. Šajgalík: Ab initio simulation of crack propagation in pure and Y-doped β-S3N4. V XXV. International Conference on Coordination and Bioinorganic Chemistry, str. 49–57, 2015.
  12. M. Gall – T. Miklovič: Visualization of electron density. Editor(i): Peter Rapta, V Organometallics - Synthesis, Characterisation and Properties, Slovenská chemická knižnica, Bratislava, str. 29–31, 2014.
  13. M. Gall – M. Breza – J. Kožíšek: QTAIM STUDY OF COPPER(II) AND CHROMIUM(II) ACETATE DIHYDRATE. V XXIV. International Conference on Coordination and Bioinorganic Chemistry, str. 63–63, 2013.
  14. M. Gall – M. Breza – J. Kožíšek: Electronic Structure of Copper and Chromium Acetate Dihydrate. V European Charge Density Meeting ECDM-6, 2012.
  15. M. Gall – L. Bučinský – J. Kožíšek – M. Breza: Experimental and theoretical studies the [RuCl3(Hind)2(NO)] complex. V XXIII. International Conference on Coordination and Bioinorganic Chemistry, č. 10, str. 99–105, 2011.

Článok v kolekcii

  1. M. Gall: Quantum-chemical study of polyphosphazenes. V Science and supercomputing in Europe, Editor(i): S. Bassini G. Erbacci, CINECA Consorcio Interuniversitario, zv. 2008, str. 77–81, 2009.

Diplomová práca

  1. M. Gall: Molekulová evolúcia “in silico”. Diplomová práca, KM FCHPT STU v Bratislave, 2005.

Ústav informatizácie, automatizácie a matematiky vznikol 1.1.2006 spojením Katedry informatizácie a riadenia procesov a Katedry matematiky.

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