Mathematics and Natural Sciences

Chemistry Department

Institute of Theoretical Chemistry

University of Cologne in Germany

 THEORETICAL CHEMISTRY GROUP

 The Professor Dr. Franz  A central research  Another important

Michael Dolg , works
in the company of
other Ph.D. and
Master professors and
undergraduate and
graduate students.
topic is RELATIVISTIC research topic is "the
QUANTUM CHEMISTRY: development of ab initio
“The application of PSEUDOPOTENTIALS
quantum chemical consistent with relativistic
methods for energy (effective central
calculations of potentials) for all the
electronic structures elements of the periodic
in systems with heavy table (with the exception
and super heavy of H and He)".
atoms”.
 RESEARCH TOPICS
The group of theoretical chemistry is interested in precise calculations of electronic structure (ab initio or first
principles) of atoms, molecules, groupings, as well as polymers and solids.

1. The quantum relativistic chemistry. 5. The chemistry of lanthanides and actinides.

2. The development of ab initio pseudopotentials 6. The electronic structure and properties

consisting of relativistic energy. dependent on the size of metal groups.

3. The electronic structure of compounds with 7. The development of Methods of quantum

heavy and super heavy elements. chemistry ab initio for periodic systems.

4. The relativistic effects and the effects of 8. Molecular dynamics for amorphous systems.
electronic correlation.
 DR. FRANZ MICHAEL DOLG

Born: 1958
Diploma thesis: 1984 (University of Stuttgart)
Dissertation: 1989 (University of Stuttgart)
Postdoctor: 1990 - 1993 (University of Stuttgart)
1991, 1993 (OSU Columbus, Ohio)
1994 - 1999 (MPI-PKS Dresden)
Habilitation: 1997 (University of Stuttgart)
Professorship: 1999 - 2002 (University of Bonn)
In Cologne 2002
since:
 PUBLICATIONS

NAME NEWS DATE

1. "Electronic Structure Calculations for Molecules Containing Handbook of Chemistry and Physics of Rare
Amsterdam, 1996
Lanthanide Atoms" Earths

2. "Lanthanides and Actinides" Encyclopedia of Computational Chemistry Chichester, 1998

Modern Methods and Algorithms of Quantum

3. "Effective Core Potentials" Neuauflage NIC, 2000
Chemistry, NIC Series 1

4. "Relativistic Energy-consistent Pseudopotentials - Recent

Comput Chem Germany, 2002
Developments"

Recent Advances in Quantum Monte Carlo

5. "Quantum Monte Carlo Study of Mercury Clusters" New Jersey, 2002
Methods
 FELLOWSHIPS/AWARDS:

 Award of the friends of the University of

Stuttgart, 1987.

 Guest professorship at The Ohio State

University, USA, 1991 and 1993.
 DFG habilitation fellowship, 1992 – 1994.

 Heinz-Maier-Leibnitz award, 1994.

 Coordinator of the DFG priority programme 1145, 2002.

 JUSTIFICATION:
 The theoretical chemistry is of great importance for the development of science and
technology. With the deepening of this line of research we can generate important
advances and contributions for the quantum study of the subject and it’s transformations.

 We can visit and know the research group of "Theoretical Chemistry" by Professor Dr.
Michael Dolg of the University of Colonia is for us a priority and pride for the work carried
out there and the qualified working group of Professor Dolg.

 We recognize the importance of being able to bring inputs and scientific contributions
with the purpose of strengthening this line of research in the different groups and
seedbeds of the Industrial University of Santander.
 RESEARCH GROUPS
 Research Group in Theoretical and Experimental
Physicochemistry (GIFTEX):

• Theoretical and experimental determination of  Theoretical Biochemical Group

relations structure reactivity (GBQT):
• Mass Spectrometry and Nanomaterials
• Study of biological interfaces • Computational Photochemistry
• Spectroscopic and computational study of the • Computational Model of Enzymatic
formation and structure of materials Reactions
• Molecular modeling of nanoporous materials • Chemotopotology
• Synthesis and characterization of oligomers and
polymers with photophysical activity.
 THANKS
FOR YOUR ATTENTION