Advanced Computing User Day

Dutch HPC Coalition meeting
2024-12-12 , Expedition

A primary objective of the coalition is to unify the currently fragmented Dutch community and become more visible to all the stakeholders. The coalition will synthesize a clear HPC agenda underpinned by use-cases that highlight both academic and economic value. The coalition will act as an advisory and sounding board to represent the Dutch HPC community.
This year's meeting will develop the discussion based on a set of prominent HPC projects and the development and user experience around them. These presentations and the related discussions should directly contribute to the Community Position paper draft.

Speakers:
Dr. Richard Stevens (UTwente)
Prof. Zeila Zanolli (UtrechtU)
Prof. Alexander Bonvin (UtrechtU)
Simon Bijdevier (ClusterVision)

I’m an assistant professor at the University of Amsterdam, my research focuses on the interdisciplinary domain of high-performance multi-scale models, with the primary applications derived from biomedical research.
I maintain active collaborations with several experimentalist groups and medical professionals. I lead the development of HemoCell, the open-source high-performance cellular blood flow simulation, that enables large-scale blood simulations over hundreds of thousands of cores. I also participate in multiple national and EU projects as co-PI, Task leader and Work Package leader (e.g., National Brain Research Program, CompBioMed2, GEMINI).

Alexandre Bonvin (1964) studied Chemistry at Lausanne University, Switzerland and obtained his PhD at Utrecht University in the Netherlands (1993). After two post-doc periods at Yale University (USA) and the ETHZ (CH) he joined Utrecht University in 1998 where he was appointed full professor of computational structural biology in 2009. In 2006, he received a prestigious VICI grant from the Dutch Research Council. He was director of chemical education (2009-2012), vice head of the Chemistry Department (2010-2012) and Scientific Director of the Bijvoet Centre for Biomolecular Research (2019-2023). He has and is participating to several EU projects including the BioExcel Center of Excellence in Biomolecular Simulations.
Research within his group focuses on the development of reliable bioinformatics and computational approaches to predict, model and dissect biomolecular interactions at atomic level. To this end they develop the widely used HADDOCK integrative modelling software (https://bonvinlab.org/software; https://wenmr.science.uu.nl)

Zeila Zanolli is leading the “Quantum Materials by Design” group at the Chemistry Department/Debye Institute for Nanomaterials Science, Utrecht University. Previously (2018 – 2020) she was a Ramon y Cajal Fellow at ICN2, Barcelona (Spain), an excellence program of the Spanish Ministry for Economy, Industry and Competitiveness (MINECO). In 2016 – 2018, she leaded the Nanospintronics Group at the Physics Dept of RWTH Aachen University, funded by the DFG. In 2015 – 2012 she was Marie Curie Intra-European Fellow at Forschungszentrum Jülich (Germany).
Her researc focus is on Quantum Materials, a class of materials in which quantum mechanical effects are visible at the macroscopic scale. They provide unprecedented opportunities to enable a new technology based on quantum effects, with impact on low-dissipation electronics, photovoltaics, quantum information and, in general, quantum engineering. Her major contribution are in developing and using first-principles theory and computational methods to investigate topological materials, superconductors, quantum transport, (magnetic) proximity interaction, and spectroscopy. Her group is core developer of the open source code SIESTA https://gitlab.com/siesta-project/
She serves in the Psi-k working group “Quantum materials driven by correlations, topology or spin", in the Steering Committee of the European Theoretical Spectroscopy Facility (ETSF), and in the board of the “Semiconductor and Quantum Materials” session of the European Physical Society. Since 2019 Dr. Zanolli serves in the Editorial College of SciPost Physics, a Diamond Open Access publication portal. In 2018-20, Dr. Zanolli served in the Executive Committee of the MaX (MAterials design at the eXascale) European Centre of Excellence which enables materials modelling, simulations, discovery and design at the frontiers of the current and future High Performance Computing (HPC), High Throughput Computing (HTC) and data analytics technologies. In 2017 she has been elected Fellow of the Young Academy of Europe (YAE), a pan-European network of scientists active in science policy, where she served as a board member and treasurer in 2028-22.

Professor in the Physics of Fluids group on “Numerical simulations of turbulence” who strives to develop novel simulation methods to simulate turbulent flows using large eddy simulations and direct numerical simulations. Large eddy simulations simulate the dynamics of extended wind farms in turbulent atmospheric boundary layers. In contrast, direct numerical simulations of thermal convection and sheared convection are used to increase our fundamental understanding of turbulent flows. The goal is to use the simulations to improve our physical insight into turbulent flows and develop further state-of-the-art simulation methods to simulate more complicated physics. You can find more information at my website https://stevensrjam.github.io/Website/