Zurek, Eva
1
Eva Zurek
Max Planck Institüt für Festkörperforschung
Heisenbergstrasse 1
70569 Stuttgart
Germany
Phone +49-(0)-711-689-1668
Email: e.zurek@fkf.mpg.de
Relevant Employment/Educational History
Post-Doctoral Research
August 2006-Present
Abteilung Andersen, MPI für Festkörperforschung, Stuttgart
 Wannier-like functions, single-walled carbon nanotubes (SWNTs).
Doctoral Research
November 2002-August 2006
Abteilung Andersen, MPI für Festkörperforschung, Stuttgart
 Computational studies on the construction of Wannier-like functions for metallic
systems. Investigations of the electronic structure of cesium under high pressure.
DFT studies on the electronic structure and 13C NMR chemical shifts in SWNTs.
DFT investigations of the stability and bonding in metal-(C60)2 clusters.
Graduate Research and Teaching Assistant
September 2000-October 2002
Tom Ziegler's Research Group, University of Calgary
 Teaching of Undergraduate Physical Chemistry Courses.
 Computational studies on the structure of methylaluminoxane, one of the most
important activators in single-site olefin polymerization. Studies on possible
structures of active and dormant species present in solution as well as mechanistic
aspects of the polymerization process.
Summer Student
Tom Ziegler's Research Group, University of Calgary
 Computational studies on methylaluminoxane.
May 2000-September 2000
Independent Undergraduate Research Project
September 1999-January 2000
Tom Ziegler's Research Group, University of Calgary
 Computational studies on methylaluminoxane.
Summer Internship
Akzo Nobel, Arnhem, The Netherlands
 Testing of different continuum solvation models.
June 1999-September 1999
Summer Student
May 1998-September 1998
Tom Ziegler's Research Group, University of Calgary
 Radii parameterization for the COnductor-like Solvation MOdel (COSMO) as
implemented in the ADF (Amsterdam Density Functional) Package.
Zurek, Eva
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Post Secondary Education
 PhD in Chemistry
November 2002-August 2006
Theoretical Chemistry/Condensed Matter Physics, MPI für Festkörperforschung,
Stuttgart
Supervisor: Prof. Ole Krogh Andersen
 Masters of Science
September 2000-October 2002
Theoretical/Computational Chemistry, University of Calgary, Canada
Supervisor: Prof. Tom Ziegler
 B.Sc. Chemistry and B.Sc. Physics
September 1994-May 2000
University of Calgary, Canada
Scholarships and Awards
Name of Award
IMPRS-AM Fellowship
(International Max Planck Research
School for Advanced Materials)
Masters Scholarship (Alberta
Learning)
Alberta Ingenuity Scholarship1
Graduate Research Scholarship
Canadian Society for Chemistry2
Hypercube Award3
Undergraduate NSERC
EGC Family Bursaries in Chemistry
EGC Family Bursaries in Chemistry
Copp Family Scholarship
Canada Scholarship
Rutherford Scholarship
Value
Period Held
1200 Euro/month for 11/02 – 04/06
3.5 years
$2000
09/01 - 09/02
($20,000 + $1500)/yr
research allowance
$3900
$50
$1500 Value
$4000
$1800
$1800
$3000
$5000
$1800
09/01 – 11/02
09/01-05/02
06/00
06/00
09/99-01/00
09/98-05/99
09/97-05/98
09/94-05/95
09/94-05/95
09/94-05/95
1
Awarded for a two year period.
Awarded for second best undergraduate poster presentation in Inorganic Chemistry at the 83 rd
CSC Conference in Calgary, Alberta, May 18-31, 2000.
3
Awarded by the Department of Chemistry, University of Calgary, for the best undergraduate
research project.
2
Publications
Articles Published or Submitted to Refereed Journals
1) Zurek, E.; Woo, T.K.; Firman, T.K.; Ziegler, T.; "Modeling the Dynamic
Equilibrium Between Oligomers of (AlOCH3)n in Methylaluminoxane (MAO). A
Theoretical Study Based on a Combined Quantum Mechanical and Statistical
Mechanical Approach." Inorganic Chemistry, 2001, 40, 361-370.
2) Zurek, E.; Ziegler, T.; "A Combined Quantum Mechanical and Statistical
Mechanical Study of the Equilibrium of Trimethylaluminum (TMA) and
Oligomers of (AlOCH3)n Found in Methylaluminoxane (MAO)." Inorganic
Chemistry, 2001, 40, 3279-3292.
Zurek, Eva
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3) Zurek, E.; Ziegler, T.; "Toward the Identification of Dormant and Active Species
In MAO (Methylaluminoxane)-Activated, Dimethylzirconocene-Catalyzed Olefin
Polymerization." Organometallics, 2002, 21, 83-92.
4) Xu, Z.; Vanka, K.; Firman, T.; Michalak, A.; Zurek, E.; Zhu, C.; Ziegler, T.; "
Theoretical Study of the Interactions between Cations and Anions in Group IV
Transition-Metal Catalysts for Single-Site Homogeneous Olefin Polymerization."
Organometallics, 2002, 21, 2444-2453.
5) Zurek, E.; Ziegler, T.; “A Density Functional Study of the Insertion Mechanism in
MAO (Methylaluminoxane)-Activated, Dimethylzirconocene-Catalyzed Olefin
Polymerization; Further Evidence for the Structural Assignment of Dormant and
Active Species.” Faraday Discussions, 2003, 124, 93-109.
6) Autschbach, J.; Zurek, E.; “Relativistic Density-Functional Computations of the
Chemical Shift of 129Xe in Xe@C60.” Journal of Physical Chemistry A., 2003,
107, 4967-4972.
7) Zurek, E.; Ziegler, T.; “Theoretical Studies of the Structure and Function of MAO
(Methylaluminoxane).” Progress in Polymer Science, 2004, 29, 107-148.
8) Zurek, E.; Autschbach, J.; “Density Functional Calculations of the 13C NMR
Chemical Shifts in (9,0) Single-Walled Carbon Nanotubes.” Journal of the
American Chemical Society, 2004, 126, 13079-13088.
9) Zurek, E.; Jepsen, O.; Andersen, O.K.; “NMTO Wannier-like Functions for
Insulators and Metals.” ChemPhysChem, 2005, 6, 1934-1942.
10) Zurek, E.; Pickard, C. J.; Walczak, B.; Autschbach, J.; “A Density Functional
Study of the 13C NMR Chemical Shifts in Small to Medium Diameter SingleWalled Carbon Nanotubes.” Journal of Physical Chemistry B, accepted.
11) Enders, A.; Malinowski, N.; Ievlev, D.; Kern, K.; Zurek, E.; Autschbach, J.;
“Magic alkali-fullerene compound clusters of extreme thermal stability.”
Submitted.
Articles Currently in Progress.
 Zurek, E.; Autschbach, J.; “Computational studies of magic metal - (C60)2
clusters.” In preparation.
 Zurek, E.; Jepsen, O.; Andersen, O.K.; “Wannier-like Functions for -ThSi2 and
-ThSi2.” In preparation.
Other Refereed Contributions: Conference Proceedings
 Zurek, E.; Woo, T.K.; Firman, T.K.; Ziegler, T.; "Modeling MAO
(Methylaluminoxane)." Organometallic Catalysts and Olefin Polymerization:
Catalysts for a New Millenium; Blom, R.; Follestad, A.; Rytter, E.; Tilset, M.;
Ystenes, M., Eds,; Springer: New York, 2001.
Non-Refereed Contributions
 Zurek, E.; Kirchner, E.; "Solvent Effects in Quantum Chemistry." Interim
Research Report, Akzo Nobel, the Netherlands.
Zurek, Eva
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Presentations
 March 2006. “Computational studies of magic metal - (C60)n clusters.” APS
national meeting, Baltimore; contributing talk.
 June 2005. “Computational studies of magic metal - (C60)n clusters.”
Arbeitsbeschprechung, MPI für Festkörperforschung, Stuttgart; invited talk.
 Feb 2005. “Computational studies of Methylaluminoxane and single-walled
carbon nanotubes”. Imperial College of London; invited talk.
 Jan 2005. “Density functional calculations of the 13C NMR chemical shifts in
(9,0) single-walled carbon nanotubes.” Conference of the World Association of
Theoretically Oriented Chemists (WATOC), Capetown; contributing talk.
 Jan 2005. “Wannier-like functions of Cesium under high pressure.” Conference of
the World Association of Theoretically Oriented Chemists (WATOC), Capetown;
poster presentation.
 August 2004. “Density functional calculations of the 13C NMR chemical shifts in
(9,0) single-walled carbon nanotubes.” ACS (American Chemical Society)
national meeting, Philadelphia; contributing talk.
 August 2004. “NMTO Wannier-like functions for insulators and metals.” ACS
(American Chemical Society) national meeting, Philadelphia; contributing talk.
 Feb 2003. “Modeling MAO (Methylaluminoxane).” Jagiellonian University,
Krakow, Poland; invited talk.
 March 2003. “Modeling MAO (Methylaluminoxane).” Basell Polyolefins,
Ludwigshafen, Germany; invited talk.
Teaching Experience
 Teaching the Laboratory section for Chemistry 471, Advanced Physical
Chemistry ; Kinetics and Spectroscopy (New Curriculum), Sept. 2001-Jan. 2002.
 Teaching the Laboratory section for Chemistry 473, Advanced Physical
Chemistry; Dynamic Process and Condensed Phases, Jan. 2001-May 2001.
 Teaching the Laboratory section for Chemistry 471, Advanced Physical
Chemistry; Spectroscopy, Sept. 2000-Jan. 2001.
Personal Data
 Born in Krakow, Poland, December 21, 1976. Dual Canadian and Polish
citizenship.
Interests and Activities
 Hiking, inline skating, downhill and cross-country skiing.
 Photography, acting and art.