All the PATC courses at BSC are free of charge.
Venue: Online via Zoom

Objectives: The course will make the attendants familiar with simulation technologies used in Life Sciences and their specific adaptation to HPC environment

Course convener: Josep Gelpi

Detailed outline:
Introduction to biomolecular simulation
Coarse-grained and atomistic simulation strategies
Automated setup for simulation

HPC specifics: Large scale parallelization, use of GPU’s
Storage and strategies for large scale trajectory analysis

Learning Outcomes: Setup, execute, and analyze standard simulations in HPC environment

Level: (All courses are designed for specialists with at least 1st cycle degree or similar background experience) INTERMEDIATE: for trainees with some theoretical and practical knowledge.

Further information:

In the context of virtual meetings, the Organiser may facilitate live webstreaming and audio recording. You have the option to opt out of inclusion in recordings by contacting our Education&Training team.

CONTACT US for further details about MSc, PhD, Post Doc studies, exchanges and collaboration in education and training with BSC.
For further details about Postgraduate Studies in UPC - Barcelona School of Informatics (FiB), visit the website

Sponsors: BSC and PRACE 6IP project are funding the PATC @ BSC training events.
If you want to learn more about PRACE Project, visit the website.

17 March 18 March
09.00 - 10.30 Welcome & Introduction (JLG) 09.00 - 10.30  Simulation DBs and simulation data management (PA)
10.30 - 11.00  Break 10.30 - 11.00  Break
11.00 - 11.45  Atomistic MD Algorithm (JLG) 11.00 - 11.45 MD a la carte (FC)
11.45 - 12.30  Algorithm improvements & HPC (JLG) 11.45 - 12.30  Introduction coarse-grained simulations (PDD)
12.30 - 14.00   Break 12.30 - 14.00  Break
14.00 - 15.30  Simulation Setup (FB) 14.00 - 15.00  Trajectory visualization (AH)
15.30 - 16.30   Break 15.00 - 16.00  Trajectory analysis (AH)
16.30 - 18.00  Setup and Analysis Hands On (AH) 16.00 - 16.30  Break
16.30 - 18.00  Survey and Report Writting
  JLG: Josep Ll. Gelpi (BSC - IRB - UB)
   FC: Francesco Colizzi (IRB)  
  PA: Pau Andrio (BSC)  
  FB: Federica Batistini (IRB - UB)
  AH: Adam Hospital (IRB)  
  PDD: Pablo Dans (UDELAR - IP - IRB)

For further details and practical info such as local transport and venue please visit the local course pages for PATC@BSC: