On-line Workshop
Computational Methods in Materials Science
Fundamentals and Applications
24-25 September 2021
Based in Warsaw and Poznań, POLAND
Organizers
Materials science provides the foundation for development of future technologies. Essential background for materials science development comes from the use of computational methods. The information provided by the computational methods is indispensable for design of crystals exhibiting required properties, for analysis of the structures and physicochemical properties of materials. The theoretical support helps to identify the problems and then to solve them.
The workshop offers instructions on the methods helpful in studies of crystal and electronic structure of materials as well as their physical properties, important for all kinds of applications. Thanks to the use of such methods, it is possible to predict the structure and properties of a given material, determine its structure, understand the observed features, but also support experimental methods, and narrow the experimental research field to the areas indicated by the theory in order to accelerate the studies and reduce the research costs. The workshop aims at presenting the examples of application of computational techniques in materials science, in order to promote these methods in this field and thus encourage their wider use in solving difficult and scientific problems and technological challenges in the future.
The workshop will be a platform for learning about selected computation methods. It is planned to introduce new applications and to present the software that enables the methods to be used by those taking their first steps in this field.
The Workshop is a satellite meeting to EMRS Fall Meeting 2021, especially to the symposium H devoted to computational methods.
Topics
The topics of the 10 lectures and practical classes include:- Computational tools and challenges in the field of materials science
- Artificial intelligence methods used in materials science
- Future of computational methods in materials science
- Design of materials
- Prediction of crystal structure
- Software applicable in crystallographic calculations
- Basics of operation of servers offering access to data and software
- Applications of first principles methods in studies of magnet materials
- Theory of magnetic impurities
- Applications of computational methods for design of functional materials
- Studies of structure-physical property relationships
- Crystal and electronic structure of solids
