Introduction to MedeA modeling

 

One day workshop on September 9, 2004

in ICM, Warsaw University, Poland

(satellite event to E-MRS Fall Meeting 2004)

 

 

MedeA is an environment for computer assisted design of materials. The name MedeA stands for “Materials Exploration and Design Analysis” and these words aptly describe MedeA’s function. MedeA focuses on the properties of solids, surfaces and interfaces of inorganic materials, but can also be applied to organic matter as well. MedeA enables the user to retrieve, display, examine and edit structures with three-dimensional periodicity.

 

MedeA environment provides direct access to a suite of modules including

·        the world’s major crystallographic structural databases of inorganic materials

·        advanced database search capabilities

·        model building and editing at the atomistic level

·        state-of-the-art computational tools of structure and properties

·        an innovative database infrastructure to store and retrieve computed results

·        visualization, display and analysis tools

 

MedeA is designed to address most materials issues such as structural, thermal, mechanical, chemical, electronic, optical, and magnetic properties of bulk materials, layered materials, surfaces and interfaces. MedeA’s simulation and informatics modules may be used individually, but the full power of the software lies in the use of these two methodologies in tandem.

 

This workshop provides an introduction to the functionality in MedeA. Participants learn how to search the databases for a specific compound or property, and how to start computations with the quantum mechanical software.

 

Participation in the workshop is free of charge and the number of participants is limited by the size of the teaching laboratory.

 

Agenda

 

  1. Introduction — short story about the Materials Design company and MedeA software
  2. MedeA modules and their capabilities
  3. Hints to calculate electronic structure of solids
  4. Hands-on tutorials:
    1. building simple crystals
    2. retrieving compounds from databases
    3. quantum mechanical computations of selected properties

 
 

 

 

Date:                   September 9, 2004 (Thursday), from 10 a.m. to 4 p.m.

Location:            Site ICM /G, Warsaw University, Zwirki i Wigury 93, room 3083 (3rd floor)

Teacher:             Dr. Jacek Piechota

Registration:      jp@icm.edu.pl

 

 

 

A set of screenshots form Medea modules