We are pleased to announce a one-day workshop on molecular modelling.
Invited are all interested scientists in the area of Hamburg.
Date: March, 28th 2008
Department of Chemistry,
Faculty of Mathematics, Informatics and Natural Sciences
University of Hamburg
Grindelallee 117, Room 156 (CIP II)
A formless registration by e-mail is required (vill~AT~chemie.uni-hamburg.de).
10:00-11:00 - "Introduction to computational chemistry"
Referee: Anna Kuzak
Computational chemistry is rapidly growing area, combining theoretical models with computers to investigate a variety of chemical phenomena. Computational chemistry became now an integral part of modern chemical research. This lecture, dedicated to experimental chemist and biochemists, will present brief introduction to the computational techniques and their applications.
11:15-13:15 - "Molecular Modeling Techniques - CAChe (Scigerss Explorer)" - exercises
Referee: Woitek Plonka
CAChe is a leading computer-aided chemistry modelling package designed for experimental chemists conducting research in life science, materials and chemistry, as well as for undergraduate and graduate educators. CAChe lets every scientist visualize molecules in 3D, search for conformations, analyze chemical reactivity and predict properties of compounds with an easy-to-use interface on desktop computers.
Link to the web page: http://www.fqs.pl/chemistry/cache
14:00-16:00 - "Molecular Dynamics Techniques - Materials Explorer" - exercises
Referee: Mateusz Galuszka
Materials Explorer is a multi-purpose molecular dynamics software package for Windows-based computers. Intuitive graphical interfacemakes it simple to build assemblies of molecules in a cell, to set up the calculations, and to interpret the results. Materials Explorer can be applied to various systems, including metals and inorganics such as ceramics and semi-conductors. It is also well suited for organics, polymers and biomolecules. Materials Explorer has a Potential Library that includes potential functions and parameters for a wide range of atom-atom interactions.
Link to the web page: http://www.fqs.pl/chemistry/material_explorer
The workshop is supported by Fujitsu (e-mail: ccs~AT~fqs.pl, URL: http://www.fqs.pl/)