Virtual workshop

Computational Approaches to Structure Formation Phenomena in Nanomaterials and Biosystems.

Understanding process of structure formation is essential for understanding function, both in the intelligent materials and in biological macromolecules. Current interest in nano-materials and advances in the theoretical and computational methods brings together two scientific disciplines biology and material science. Proteins and nucleic acids are ultimate nano-materials, where structure on the sub-nanometer and nanometer scale has decisive role for the macroscopic properties of material. Computational methods employed both in materials science and in the molecular biology in the most fundamental level converge to the common paradigm – quantum computations with the application of the Density Functional Theory.

Workshop is concentrated on the latest developments in the methodology and applications of the DFT computations for structure formation phenomena and structural properties in various materials, including proteins.

In addition to the lectures by the distinguished European scientists, workshop will also include hands-on training session in the applications of the DFT software from two leading providers Accelrys and Materials Design.

Program:

Hands on training:

Introduction to MS Modeling 3.0
September 6-7 2004. Dr. Maria E. Grillo and Dr. Jacek Piechota GEO

Introduction to MedeA modeling
September 9 2004. Dr. Jacek Piechota GEO

TU – Warsaw University of Technology main building

ICM – Warsaw University, ICM, Pawinskiego 5A, Building D, 5th floor.

GEO - Warsaw University, ICM, Zwirki i Wigury 93, room 3083