Wykłady Dr. hab. Jaroslava Ilnytskyiego

Miejsce LUBLIN - IA PAN

Data rozpoczęcia: 2014-03-21
Data zakończenia: 2014-03-21

Serdecznie zapraszamy na kolejny z cyklu specjalistycznych wykładów i warsztatów dla doktorantów i pracowników naukowych z zakresu "Środowisko, Żywność, Energia" organizowanych w ramach Programu Restrukturyzacji Instytutu.

W dniach 19-20-21 marca 2014 r., o godz. 10.00 wykłady poprowadzi Dr. hab. Jaroslav Ilnytskyi, Institute for Condensed Matter Physics, Department of Computer Simulations of Many-Particle Systems, National Academy of Sciences of Ukraine, Lviv, Ukraine; part-time professor in National University “Lviv Polytechnics”.

Tematyka wykładów:

Computer architectures and general principles for modelling (2h)

• Scalar, vector and parallel computing architectures.
• Distributed and shared-memory clusters.
• Parallelisation approaches: ideas and examples.
• Length- and time-scales from quantum mechanics to coarse-grained description.
• Principles for choosing the most suitable level of modelling.
• Brief survey of existing methods.
• Multiscale modelling – the idea and realisations.
• Homebrew vs distributed scientific software packages dilemma.

Atomistic modelling and molecular dynamics approach (2h)

• The method of molecular dynamics.
• Atomic potentials and force-fields.
• Equations of motion and their numerical solution.
• Practical aspects: simulation box, boundary conditions, equilibration and analysis of properties.
• Application to photo-active liquid crystal polymers and elastomers.
• Application to self-assembly of polymer-modified nanoparticles.

Mesoscopic modelling and dissipative particle dynamics approach (2h)

• Brownian motion and Langevin equations of motion.
• Dissipative particle dynamics: idea and realisation.
• Relation and links to real-life systems.
• Application to bulk separation of mixtures, diblock copolymers and membranes swelling.
• Application to separation of mixtures and their flow in narrow pores with modified walls.
• Perspectives.

Wykłady odbędą się w Auli Instytutu Agrofizyki PAN.