Name: MARIANA DERZSI
E-mail: mariana_at_icm.edu.pl
EDUCATION
10/2002 – 12/2006 Department of Theoretical Chemistry
Institute of Inorganic Chemistry
Slovak Academy of Sciences
Bratislava, Slovakia
Postgraduate study in chemical physics
Title of theses: Structure and dynamics of selected hydrogen bonded systems: inelastic neutron scattering, neutron diffraction and DFT study.
Supervisor: Lubomir Smrcok
09/1996 – 5/2002 Comenius University, Bratislava, Slovakia
Faculty of Mathematics, Physics and Informatics .
Field of specialization: Biophysics and Molecular Physics
OCCUPATION
01/2008 – 12/2008 Post-doc position in the frames of Maria Curie c2c project
Department of Material Research by Computers
Institute of Nuclear Physics
Polish Academy of Sciences
Krakow, Poland
Project: Ab initio derivation of properties of iron bearing minerals under high temperature/pressure.
Supervisors: Pawel Jochym and Krzysztof Parlinski
01/2007 – now Department of Theoretical Chemistry
Institute of Inorganic Chemistry
Slovak Academy of Sciences
Bratislava, Slovakia
junior scientist
SPECIALIZED COURSES
September 5 – 15, 2005 9th Oxford School on Neutron Scattering, Oxford, United Kingdom.
Oral presentation: „Hydrogen bonding in Tris“.
August 14 – 21, 2005 4th Zuoz Summer School on Condensed Matter Research: Spectroscopy/Microscopy, Zuoz, Switzerland.
Poster: „Hydrogen bonding in Tris“.
February 21 – 25, 2005 26th Tutorial Session on Neutron Scattering, Hahn Meitner Insitite, Berlin, Germany.
LONGER EXTERNAL VISITS
April 11 – May 15, 2005 Cooperation with Professor Krzysztof Parlinski,
Department of Material Research by Computers,
Institute of Nuclear Physics, Krakow, Poland.
CONFERENCES AND WORKSHOPS
October 22-25, 2008 Workshop on ab initio calculations in geosciences, Crakow, Poland.
Oral contribution: „Structural and dynamical properties of Fe2SiO4-spinel at 20 GPa:DFT study“.
September 17-20, 2008 3rd Meeting of the Marie Curie Research Training Network c2c (Crust to Core) in Adeje, Tenerife, Spain.
Oral contribution: KANEMITE (NaHSi2O5 .3H2O): crystal structure, hydrogen bonds, and lattice dynamics from first-principles calculations.
June 08 – 13, 2008 The 13th International Symposium on “Deep Seismic Profiling of the Continents and Their Margins”, Saariselka, Finland.
Poster: Electronic and magnetic properties and lattice dynamics of Fe2SiO4-spinel: ground state and the effect of pressure.
Sept 15 – 18, 2007 Summer school on neutron scattering, High Tatras, Slovakia.
Lecture: „Molecular spectroscopy with neutrons”.
Aug 22 – 27, 2007 Conference: 4th European Crystallographic Meeting, Marrakech, Morroco.
Oral contribution: „Neutron diffraction, inelastic neutron scattering (INS) and DFT study of levoglucosan (1,6-anhydro-β-D-glucopyranose)“.
Jan 31 -–Feb 3, 2007 Workshop: International Workshop on Dynamics of Molecules and Materials, Institute Laue-Langevin, Grenoble, France.
Oral contribution: „INS and DFT study of hydrogen bonding in levoglucosan”.
June 20 – 26, 2006 Conference: Synchrotron Radiation and Neutron Scattering, Institute Laue-Langevin, Grenoble, France.
Oral contribution: „Hydrogen Bonding in TRIS: INS Spectroscopy and Quantum Chemistry Methods”, Abstract published in Materials Structure in Chemistry, Biology, Physics and Technology, Volume 13 (May 2006) No. 3, pp. 135.
Sept 14 – 18, 2004 Conference: Neutrons & Numerical Methods 2, Institute Laue-Langevin, Grenoble, France.
Dec 1 – 4, 2004 Workshop: Workshop on ab initio Phonon Calculations, Krakow, Poland.
Sept 14 -19, 2003 Conference: Structure Solution from Powder Diffraction Data, Stara Lesna, Slovakia.
PUBLICATIONS
Mariana Sladkovicova, Lubomir Smrcok, Pavel Mach, Daniel Tunega, Anibal Javier Ramirez Cuesta: Neutron Scattering and DFT Study of 1,6-anhydro-β-D-glucopyranose (levoglucosan),
- Mol. Structure 874 (2008) 108-120.
Lubomír Smrcok, Paula M. Briggs Piccoli, Mariana Sladkovicova, Pavel Mach, On hydrogen bonding in 2-amino-3-hydroxymethyl-1,3-propane diol – variable temperature neutron single crystal and DFT study,
- Kristallogr. 222 (2007) 555.
Mariana Sladkovicova, Lubomir Smrcok, Pavel Mach, Daniel Tunega, Alexander Kolesnikov, Inelastic Neutron Scattering and DFT Study of 2-amino-3-hydroxymethyl-1,3-propane diol,
Chem. Phys. 340 (2007) 245-259.
Mariana Sladkovicova, Pavel Mach, Lubomir Smrcok, Hakan Rundlof:
DFT and neutron diffraction study of 1,6-anhydro-β-D-glucopyranose (levoglucosan),
Central European J. of Chemistry 5 (2007) 55-70.
Lubomir Smrcok, Mariana Sladkovicova, Vratislav Langer, Chick C. Wilson and Miroslav Koos:
On hydrogen bonding in 1,6-anhydro-β -D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study,
Acta Cryst. (2006), B62, 912-918.
Vratislav Langer, Miroslav Soos, Dalma Gyepesova, Mariana Sladkovicova, Jozef Luston and Juraj Kronek:
Three isomeric forms of hydroxyphenyl-2-oxazoline: 2-(2-hydroxyphenyl)-2-oxazoline, 2-(3-hydroxuphenyl)-2-oxazoline and 2-(4-hydroxyphenyl)-2-oxazoline,
Acta Cryst. (2005), C61, o602-o606.