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DTSTART:20210216T080000Z
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DESCRIPTION:All the PATC courses at BSC are free of charge.\n\nCourse conve
 ner: Mariano Vazquez\n\nLecturers:  Mariano Vázquez (BSC)\, Okba Hamito
 u (Atos)\, Ricard Borrell (BSC)\, Diana Fernandez Velez (BSC)\, Carlos T
 eijeiro Barjas (SURFsara)\, Ben Czaja (UvA)\, Paul Melis (SURFsara)\, C
 ristobal Samaniego (BSC)\, David Oks (BSC)\, Alfonso Santiago(BSC)\, Alex
 ander Heifetz (EVOTEC)\, Andrea Townsend-Nicholson (UCL).\n\nObjectives:T
 he objetive of this course is to give a panorama on the use of HPC-based c
 omputational mechanics in Engineering and Environment through the projects
  BSC are carrying on. This panorama includes the basics of what is behind 
 the main tools: computational mechanics and parallelization. The training 
 is delivered in collaboration with the center of excellence CompBioMed.\n\
 nLearning outcomes: The course gives a wide perspective and the latest tre
 nds of how HPC helps in industrial\, clinical and research applications al
 lowing to achieve more realistic multiphysics simulations.  In addition\,
  the student has the opportunity of running Jobs in Marenostrum supercompu
 ter.\n\nLevel: INTERMEDIATE: For trainees with some theoretical and practi
 cal knowledge \n\n\n\n\n\n	\n	Tuesday 16th of February 2021: HPC-basics tr
 ack\n\n	\n		\n		10:00-14:00hs CET. C. Teijeiro-Barjas (SURFsara) &amp\; Ok
 ba Hamitou (Atos). “First steps in the HPC environment”. This training
  provides information and tutorials about how to access and perform basic 
 actions on a supercomputer. This session covers a wide range of topics: so
 me theoretical aspects such as the description of the processor architectu
 re\, the several levels of code parallelization\, and practical aspects su
 ch as the batch scheduler usage\, compilation and optimization guidelines 
 towards good performance achievements.\n		\n	\n	\n	\n	Wednesday 17th of Fe
 bruary 2021: Molecular medicine track\n\n	\n		\n		10:00-13:00hs CET.  And
 rea Townsend-Nicholson (UCL) &amp\; Art Hoti (UCL). “Molecular Medicine
 ”. This workshop in molecular medicine aims to provide participants with
  a theoretical understanding of the importance of the relationship between
  human microbiomes – the microorganisms present in and on the human body
  – and human health and with the practical opportunity to use state of t
 he art computational resources to run a metagenomics pipeline. Using marke
 r gene abundance data and the QIIME2 computational workflow\, the identity
  of the different bacterial taxa present in Next Generation Sequence data 
 obtained from medically-relevant microbiome samples will be obtained and t
 he statistical significance of the experimental hypothesis determined.\n		
 \n		\n		13:00-14:00hs CET. Alexander Heifetz (Evotec). “Introduction to 
 Computer-Aided Drug Design (CADD)”. The subject of my presentation is ap
 plication computer-aided drug design (CADD) methods in drug design. CADD i
 s the application of computer modelling techniques to drug design process.
  I will provide a brief overview of these CADD approaches illustrated by t
 he examples taken from real drug discovery campaigns. In my presentation\,
  I will cover the basic theory behind these methods and describe various t
 echniques like virtual screening\, homology modeling\, docking\, structure
 - and ligand- based drug design\, fragment-molecular orbital (FMO) quantum
  mechanics analysis of protein-water-ligand interactions\, GPCR modeling\,
  structure-activity analysis (SAR) and artificial intelligence/deep learni
 ng.\n		\n	\n	\n	\n	Thursday 18th of February 2021: Computational Mechanics
  track\n\n	\n		\n		10:00hs-11:55hs CET. David Oks(BSC) &amp\; Cristobal Sa
 maniego(BSC). “Fluid-Structure Interaction methods for biomechanics”. 
 During this hands-on course\, different approaches for modelling fluid-str
 ucture interaction (FSI) couplings will be explored. The working principle
 s of both boundary-conforming and immersed methods will be introduced in o
 rder to understand the benefits of using one or another in diverse applica
 tions. Relevant aspects of high-performance computing (HPC) will also be d
 iscussed during the course. Practical exercises will be carried out using 
 Alya\, a multi-physics HPC code developed at BSC designed from scratch to 
 run efficiently on supercomputers. We will be running simulations on Maren
 ostrum 4\, BSC's supercomputer\, in order to get familiarised with an HPC 
 server environment.\n		\n		\n		12:05-14:00hs. Gabor  Zavodszky (UvA). “
 Zoom in on blood - Using supercomputers for blood flow simulations”. 1 m
 m^3 of human blood\, that is less than a single drop\, contains about 5 mi
 llion cells. The interaction and deformation of these cells give rise to t
 he unique properties of blood. Modern biomedical research (e.g. on drug de
 livery\, effect of various diseases such as diabetic cells or sickle cell 
 disease) builds on this information. Unravelling detailed biomechanical an
 d rheological processes in flowing blood requires an accurate modelling of
  these deformable cells and the surrounding fluid on microscopic level. In
  this lecture an open-source package (www.hemocell.eu) will be discussed t
 hat on one hand allow us to model the behaviour of single cells accurately
 \, and on the other hand can scale up to the level of large flows with mil
 lions of cells.\n		\n	\n	\n	\n	Friday 19th of February 2021: Visualization
  and life sciences\n\n	\n		\n		10:00-11:55hs CET. Eduardo Graells (BSC). 
 “Effective Communication through Visualization”. In this talk we will 
 learn methods and tools to create effective and coherent visualizations th
 at deliver a message from your experimental results\, where effective refe
 rs to the optimal usage of visual elements to encode information\, and coh
 erent refers to ensuring a rightful interpretation of our work.\n		\n		\n	
 	12:05-13:30hs CET. Alfonso Valencia (BSC\, PerMedCoE). “Personalised Me
 dicine Centre of Excellence: how can HPC cell-level simulations help us fi
 ght against cancer and COVID”\n		\n	\n	\n\n\n\n\nhttps://events.prace-ri
 .eu/event/1130/
SUMMARY:[ONLINE] Short course on HPC-based Computational Bio-Medicine @ BSC
URL;VALUE=URI:https://events.prace-ri.eu/event/1130/
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