[ONLINE] Introduction to Molecular Modeling and Molecular Dynamics in HPC @GRNET

from Tuesday, 22 June 2021 (10:00) to Wednesday, 23 June 2021 (18:30)
ONLINE using zoom

        : Sessions
    /     : Talks
        : Breaks
22 Jun 2021
23 Jun 2021
AM
10:00 Opening - Connection - Dimitris Dellis (GRNET)   ()
10:30
Introduction to PRACE -Dr Dimitris Dellis (GRNET) (until 11:00) ()
11:00
Introduction to molecular simulation -Dr Zoe Cournia (Academy of Athens) Dr Dimitris Tsalikis (University of Patras) (until 12:00) ()
10:30
Hands on workshop on MD biomolecular simulations -Dr Zoe Cournia (Academy of Athens) Dr Dimitris Tsalikis (University of Patras) (until 12:00) ()
PM
12:00
Coarse-grained and atomistic simulation strategies -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 13:00) ()
13:00
Setup of simulation -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 14:00) ()
14:00 --- Break ---
15:00
Real world examples and post simulation analysis -Dr Dimitris Dellis (GRNET) Dr Zoe Cournia (Academy of Athens) (until 16:00) ()
16:00
Visualization -Dr Zoe Cournia (Academy of Athens) Dr Dimitris Tsalikis (University of Patras) (until 17:00) ()
17:00
Quantum Molecular Simulation, Consistency, evaluation of results and efficient use of resources -Dr Dimitris Dellis (GRNET) (until 17:45) ()
17:45
QA (until 18:00) ()
12:00 --- Coffe Break ---
12:15
Hands on workshop on MD biomolecular simulations -Dr Dimitris Tsalikis (University of Patras) Dr Zoe Cournia (Academy of Athens) (until 14:00) ()
14:00 --- Lunch Break ---
15:00
Hands on workshop on MD biomolecular simulations (until 17:00) ()
17:00
Q&A (until 18:00) ()