Rafał Roszak, M.Sc.

A3/314
(+4871) 320 2894

Research profile

research interesting:

  •  chemistry: hydrogen storage - materials and method, oxygen reduction catalyzed by organic materials, intermolecular interaction - energy decomposition, metal-mediated C-C bond formation
  •  bioinformatics: residue contacts in proteins
  •  computer science:  ontology engineering

Publications

  1. B. Szefczyk, R. Roszak, S. Roszak, Structure of the hexagonal NaYF4 phase from first-principles molecular dynamics, RSC Advances 4 (43), 22526-22535 (2014) DOI
  2. R. Roszak, M.Sc. Thesis: Ontology development of residue contacts in proteins, (2012) [Computer Science, supervisor: dr. D. Król (Faculty of Computer Science and Management, Wrocław University of Technology)]
  3. R. Roszak, R. W. Góra, S. Roszak, The theoretical studies of interactions of the OH-(H2O)n clusters evolution toward the hydroxide anion hydration, Int. J. Quantum Chem. 112 3046-3051 (2012) DOI
  4. R. Roszak, A. M. Trzeciak, J. Pernak, N. Borucka, Effect of chiral ionic liquids on palladium-catalyzed Heck arylation of 2, 3-dihydrofuran, Applied Catalysis A: General 409 148-155 (2011) DOI
  5. R. Roszak, M.Sc. Thesis: Odsiarczanie spalin jako element zarządzania środowiskowego na przykładzie spółki ENERGA Elektrownie Ostrołęka S. A., (2010) [Management and Production Engineering, supervisor: prof. R. Jończy ( Faculty of Engineering and Economics, Wroclaw University of Economics)]
  6. R. Roszak, M.Sc. Thesis: Testing of new chiral binaphtyl-based phosphoroamides in stereoselective diene cyclisation, (2008) [chemistry, supervisor: prof. M. Putala (Faculty of Natural Science, Comenius University, Bratislava, Slovakia)]

Conference presentations

  •  „Aromatic organo-beryllium compounds effect of substituent on hydrogen adsorption properties” Rafał Roszak, S. Roszak „Modeling and Design of Molecular Materials “, Wrocław, 10-14.09.2012
  •  „Beryllium and magnesium organometallic compounds as materials for hydrogen storage” Rafał Roszak, S. Roszak “12th Southern School on Computational Chemistry and Materials Science”, Jackson (MS, USA), 27-28.07.2012,
  •  „Beryllium containing materials for hydrogen storage” Rafał Roszak, S. Roszak “12th Southern School on Computational Chemistry and Materials Science”, Jackson (MS, USA), 27-28.07.201
  •  "Effect of chiral ionic liquids on palladium-catalyzed asymmetric Heck arylation" A. M. Trzeciak, Rafał Roszak, A. Morel, J. Pernak, 18th International Symposium on Homogeneous Catalysis (ISHC-18), Toulouse, France, 9-13.07.2012,
  •  “Beryllium doped carbon based materials – structures and hydrogen adsorption properties”, Rafał Roszak, S. Roszak, 5th International Conference on Modeling Interaction in Biomolecules, Kutna Hora (Czech Republic) 4-9.09.2011
  •  “The quantum-chemical studies as supporting tool for designing materials” Rafał Roszak, P. Kadłubański, S. Roszak , “11th Southern School on Computational Chemistry and Materials Science”, Jackson (MS, USA), 28-29.07.2011
  •  “Computational chemistry as a tool for designing functionalized materials”, S. Roszak, P. Kadłubański, Rafał Roszak, A. Drabarek, “Methods and Applications of Computational Chemistry", Lviv, Ukraine, 06-2.07.2011
  •  “Potential energy surfaces for hydrogen adsorption on beryllium doped graphite”, Rafał Roszak, S. Roszak, “Modeling and Design of Molecular Materials “, Wrocław, 07.2010
  •  “Regio- stereo- and chemoselectivity of ligand-free palladium catalyzed Heck coupling of 2,3-dihydrofuran.”, Rafał Roszak, A. M. Trzeciak, “Metal Nanoparticle in Catalysis”, Wrocław, 07.2010,
  •  “Morfoliniowe ciecze jonowe z chiralnymi anionami w enacjoselektywnej reakcji Hecka”, N. Paczesna, Rafał Roszak, A. M. Trzeciak, “VII Sympozjum nt: Czwartorzędowe sole amoniowe i obszary ich zastosowania w gospodarce”, Poznań, 07.2010
  •  “Regio- stereo- and chemoselectivity of palladium catalyzed Heck coupling of 2,3-dihydrofuran without phosphorous ligand”, Rafał Roszak, A. M. Trzeciak, “XII Regional Seminar of PhDStudents on Organometallic and Coordination Chemistry”, Szklarska Poręba, 10.2009
  •  “New binaphtyl-based phosphoramidites in palladium catalyzed stereoselective diene cyclisation”, Rafał Roszak, N. Moldovan, M. Putala, “Diploma Students Conference - Chemofor”, Warszawa, 30.05.2008

 

 Foreign trainings:

  • 2012: Jackson State University, MS, USA (2 months, Jackson State Exchange Visitor Program)
  • 2009: University of Camerino, Italy (2 weeks, Advanced Catalysis and Organometallic Chemistry, Erasmus Intensive Programme)
  • 2009: Rovira i Virgili University, Tarragona, Spain (6 weeks, COST D40 Short Term Scientific Mission)
  • 2007-2008: Comenius University, Bratislava, Slovakia (9 months, National ScholarshipProgramme of the Slovak Republic for the Support of Mobility of Students, PhD Students, University Teachers and Researchers)