3rd TA visitors meeting (TAM)

Third User Group Meeting - Online event, 3 - 4 Nov 2021

This meeting is open to all HPC-Europa3 visitors whose visits have already been completed, or are still taking place, on the date of the event. All attendees are expected to present the work done during their HPC-Europa3 visit, either in a poster or a talk. The event will be a nice opportunity to network and meet other visitors from the programme!

Agenda (timezone CET)

3rd of November 2021


Welcome and greeting talk by SURF

Walter Lioen (SURF, head of Research Services) and Prof. Wim Nieuwpoort (Rijksuniversiteit Groningen, pioneer of the Dutch national infrastructure for scientific calculations)


Invited lecture

Prof. Célia Fonseca Guerra (Vrije Universiteit, Amsterdam) - Dept. of Applied Theoretical Chemistry & Supramolecular Quantum Biochemistry

11:00 Shimpei Futatani (Universitat Politecnica de Catalunya, Spain): "Application of OpenFOAM for non-linear MHD simulations of magnetically confined plasma"
11:20 Theodora Katsila (National Hellenic Research Foundation, Greece): "Delineating the role of MALT1 in adaptive immunity and disease commorbidities"
11:40 Coffee break
11:50 Paul Olufunso Adebambo (Federal University of Agriculture Abeokuta, Nigeria): "Thermoelectric properties of newly discovered half-Heusler Alloys XHfPb (X= Ni, Pd, and Pt) from First-Principles DFT predictions"
12:10 Vangelis Daskalakis (Cyprus University of Technology): "From Rigid Crystal Structures to Conformational Sampling: A tale of two Light Harvesting Complexes"
12:30 Giorgos Nikoulis (Aristotle University of Thessaloniki): "Machine-Learning interatomic potential for W-Mo alloys"
12:50 Welcome and walkthrough in Gather Town
13:00 Lunch Break

Invited lecture

Assoc. Prof. Hieab Adams (Erasmus MC, Rotterdam) - Depts. of Clinical Genetics, Radiology and Nuclear Medicine (AdamsLab for Precision Epidemiology)

14:45 Giovanni La Penna (National research council, Italy): "Measuring Shared Electrons in Extended Molecular Systems: Covalent Bonds from Plane-Wave Representation of Wave Function"
15:15 Francisco Bernal (Carlos III University of Madrid, Spain): "PDDSparse: a highly scalable HPC algorithm for scientific computing"

Nadia Figueiredo (University of Porto, Portugal): "New set-up polarizable force field for [Emim][FeCl4]"

15:45 Break and poster session in Gather Town

4th of November, 2021


Invited lecture

Assoc. Prof. Ana Lucia Varbanescu (Universiteit van Amsterdam) - Systems and Networking Lab (Parallel Computing Systems)

10:45 Iryna Raievska (Institute of Mathematics of NAS, Ukraine): "Local nearrings of order 64"
11:05 Maryna Raievska (Institute of Mathematics of NAS, Ukraine): "Local nearrings of order 625"
11:25 Kevin Conley (Aalto University, Finland): "Formation of Near-IR Excitons in Low-Dimensional CuSbS2"
11:45 Coffee break
11:55 Adrian López García de Lomana (University of Iceland, Iceland): "Metabolic gene essentiality in the endothelium"
12:15 Simone Meloni (University of Ferrara, Italy): "What does Determines the Stability of Surface Nanobubbles?"
12:35 Aishwarya DHar (University of Rome Tor Vergata, Italy): "Abeta peptide and beta sheet breaker. A coarse grain moldecular dynamics study using GOmartini"
12:55 Lunch break

Invited lecture

Assoc. Prof. Thomas la Cour Jansen (Rijksuniversiteit Groningen) - Dept. Theory of Condensed Matter (Zernike Institute for Advanced Materials)

14:45 Poster pitch session (5 minutes of presentation per poster, in the following order):
  • Sridhar Hariharaputran (Kaunas University of Technology, Lithuania): "Computational Modelling of Optical Properties of Biomarkers in Membranes Environments"
  • Vincenzo Antonuccio-Delogu (INAF - Catania Astrophysical Observatory, Italy): "Python gluing modules in multiscale galaxy formation numerical models"
  • Mirko Varzan (Università degli Studi di Padova, Italy): "A computational study on the opto-electronic properties of various AuRh nanoclusters obtained through different synthetic processes"
  • Calin Gabriel Floare (National Institute for R&D of Isotopic and Molecular Technologies, Romania): "Molecular dynamics investigation of an inverse freezing reentrant phase transition"
  • Fernando Romeo Gella (Universidad Autónoma de Madrid, Spain): "Theoretical investigation of a novel xylene-based light-driven unidirectional molecular motor"
  • Gabriel Moldovan (ISAE- ENSMA, France): "A multi-grid data assimilation strategy to improve the accuracy of numerical predictions at a reduced computational cost: application to a three-dimensional massively-separated turbulent flow"
  • Veronica Biffi (INAF - Osservatorio Astronomico di Trieste, Italy): "Chemical properties of simulated galaxy clusters"
  • Espen Bing Svendsen (University of Copenhagen, Denmark): "Modelling radar waves in clayey till using gprMax"

Break and poster session in Gather Town


Best presentations and posters will be awarded with complimentary compute time in the new supercomputer Snellius, that started its operation at SURF in October 2021.

  • 1st prize Presentation: 500,000 core hours
  • 2nd prize Presentation: 200,000 core hours
  • 3rd prize Presentation: 100,000 core hours
  • 1st prize Poster: 100,000 core hours
  • 2nd prize Poster: 50,000 core hours
  • 3rd prize Poster: 25,000 core hours