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Ongoing collaboration back_r

caltech

William A. Goddard III

arizona

Ludwik Adamowicz

icho

Karol Grela


Ongoing collaboration back_r

wch

Krzysztof Woźniak

ntu

Dragoslav Vidovic

cent3

Sławomir Filipek

New collaboration
Our group is always open to and interested in collaborations with new groups, both experimental and theoretical. We offer the knowledge and ability to apply theoretical methods to study both small systems (organic, inorganic, organometallic) as well as large systems, such as biomolecules, new materials and nanoscale systems.

Computational organic/inorganic chemistry
For small and medium-sized chemical systems (usually <200 atoms) we can obtain a number of important properties using accurate quantum chemistry methods. In particular, we can predict and/or estimate with good accuracy:
Selected examples of the results obtained using such computational approaches can be found in our publications on the organic chemistry page.

 

Interested?
trzask@cent.uw.edu.pl

Computational biochemistry, protein modelling, drug design
For large systems, in particular for proteins and other biosystems, we use the molecular mechanics/dynamics methods, coupled with more accurate semi-empirical methods. The examples of the use of these methods are: Selected examples of the results obtained using such computational approaches can be found in our publications on the medical chemistry and nanotechnology pages.

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