Wykłady Dr. hab. Jaroslava Ilnytskyiego

marzec, 2014

21maralldayalldayWykłady Dr. hab. Jaroslava Ilnytskyiego


Cały dzień (Piątek)


Lublin, Instytut Agrofizyki PAN

Szczegóły wydarzenia

erdecznie 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.