PRACE Autumn School 2018 - HPC for Engineering and Chemistry

from Monday, 24 September 2018 (08:00) to Wednesday, 26 September 2018 (19:00)
University of Ljubljana (Lecture room IV/2 and computing rooms II/5, III/1, N17)

        : Sessions
    /     : Talks
        : Breaks
24 Sep 2018
25 Sep 2018
26 Sep 2018
AM
08:00 --- Registration ---
08:30 Welcome address - Prof. Jože Duhovnik (PRACE MB member for Slovenia) Prof. Janez Povh (University of Ljubljana, ULFME)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
08:45
Introduction to HPC -Dr Leon Kos (ULFME) Dr Janez Povh (ULFME) Dr Jan Jona Javoršek (SLING) (until 09:30) (Lecture room IV/2 and computing rooms II/5, III/1, N17)
slides
09:30 Parallel Computing - Mr Caspar van Leeuwen (SURFsara)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
10:30 --- Coffee break ---
11:00 OpenMP - Mr Caspar van Leeuwen (SURFSara)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
08:30 An introduction to Finite Element, Boundary Element, and Meshless Methods - with applications in heat transfer and fluid flow - Dr Alain Kassab (University of Central Florida, Orlando, Florida)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
10:00 --- Coffee break ---
08:30
HPC in Chemistry and Chemical engineering (until 17:00) (Lecture room IV/2 and computing rooms II/5, III/1, N17)
08:30 Quantum methods - Dr Jernej Stare (KI)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
09:15 Classical and ab-initio molecular dynamics - Dr Franci Merzel (KI)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
10:00 --- Coffe Break ---
10:30 QM/MM - Dr Milan Hodošček (KI)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
11:00 Multiscale modeling & simulation - Dr Matej Praprotnik   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
11:30 Hands-on tutorial on Molecular dynamics - Dr Milan Hodošček (KI)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Input generator for CHARMM
12:15 --- Lunch ---
13:15 Hands-on tutorial on Quatum methods (Gaussian, cpmd...) - Dr Jernej Stare (KI)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
14:35 --- Break ---
14:50 Hands-on tutorial on Espresso++ - Dr Jurij Sablić (KI)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
examples
08:30
HPC in Engineering (until 15:45) (Lecture room IV/2 and computing rooms II/5, III/1, N17)
08:30 Multiscale CFD modeling for congential heart disease - Alain Kassab (U. Florida)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
09:15 Multiscale CFD modeling for left ventricular assist device - Prof. Alain Kassab (U. Florida)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
10:00 --- Coffe Break ---
10:25 Introduction to OpenFoam - Dr Aleksander Grm (University of Ljubljana, FPP)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
12:15 --- Lunch ---
13:15 Hands-on tutorial on solving engineering problems with OpenFoam - Dr Aleksander Grm (University of Ljubljana)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Examples
PM
12:15 --- Lunch ---
13:15 MPI - Mr Caspar van Leeuwen (SURFsara)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
12:00 --- Lunch ---
13:15 Nanofludics - Dr Jens H. Walther   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
13:45 Hands-on tutorial on Molecular dynamics and Computational fluid dynamics for nanofluidics - Dr Jens H. Walther   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
14:45 --- Coffee break ---
15:00 Conjugate heat transfer and proper orthogonal decomposition - Prof. Alain Kassab (University of Central Florida, Orlando, Florida)   (Lecture room IV/2 and computing rooms II/5, III/1, N17)
Slides
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