The sustainable development of modern technologies and the invention of new ones are impossible without new, multifunctional and smart materials. To achieve a breakthrough in new materials design and to create really innovative systems the scale bridging between the quantum structure of matter (electronic structure) with characteristic times about femtoseconds and macroscopic classical behavior in the time range up to years and even decades of years has to be built as the combination of “bottom-up” and “top-down” approaches. So describing, understanding, and finally quantitatively predicting such multiscale and multiphysics phenomena using advanced theoretical methods is a grand scientific task that is key to assuring the safety and well-being of our modern society.
1st Young Researchers School “Computer Design of New Materials”
Insitute of Physics, Kazan Federal University
The school organized by Kazan Federal University, Kazan, Russia and Materials Design is aimed to provide a forum for young scientists for the training works with MedeA® software developed by Materials Design and for the demonstration of new abilities of it.
The MedeA software package predicts materials properties using simulations based on quantum mechanics (VASP) , statistical thermodynamics (GIBBS) and classical mechanics (LAMMPS) as well as correlation methods involving empirical data. It gives rapid access to reliable experimental data in databases compiled from the published works:
The participants will be able to present their own results at poster sessions and to focus on and to discuss future challenges of multiscale physical modeling.
Contact e-mail: Dmitry.Tayurskii@kpfu.ru (please add label [School-2013] to the subject)
The preliminary scientific program of the school:
Download schedule: http://shelly.kpfu.ru/portal/docs/F1910158814/schedule_new.pdf