Project reference: 2130 In recent years there has been a massive development in the high-performance computing architecture. More precisely, almost all the supercomputers are having the accelerators such as GPUs. On the other hand, there is a big question rising …

Designing Scientific Applications on GPUs Read More »

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Project reference: 2128 S-gears are a specific variant of cylindrical gears with a modified tooth profile geometry that can, in several aspects, provide superior performance to more traditionally used involute or cycloid gears.  This type of gears has in the …

S-gear geometry generation and optimisation algorithm based on transient finite element mechanical/contact analyses Read More »

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Project reference: 2127 In the current times of ever-growing data, cross-site collaboration, and evolving new data processing techniques; moving to the cloud to carry out scientific research is becoming a commodity. With that shift, however, keeping track of where your …

Maximising data processing efficiency in the cloud, with a twist for Research Data Management Read More »

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Project reference: 2126 This project consists in benchmarking computational chemistry applications in the Dutch National supercomputer. The goal of this project is to get acquainted with different relevant software for scientific simulations and be able to analyse and describe the …

Benchmarking Scientific Software for Computational Chemistry in the Dutch National Supercomputer Read More »

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Project reference: 2122 Since twenty years, fast spectral methods have been developed for simulating rarefied gases. Such physical phenomenon can be modelled with Boltzmann-type equations that are written in 1D+nD+mD in the time-phase space (n = 1,2,3 and m=2,3). We …

Numerical simulation of Boltzmann-Nordheim equation Read More »

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Project reference: 2123 Spacecraft missions and infrared measurements allowed to know that the surface of most asteroids is covered by a layer of unconsolidated granular material called the Regolith. A regolith is defined as a layer or mantle of loose, …

Parallel radiative heat exchange solver for analyzing samples from the OSIRIS-REx space exploration mission Read More »

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Project reference: 2119 The paradigm of quantum computers is completely different from the paradigm of classical digital computers. Understanding this paradigm will allow the student to understand, for example, how it is possible that quantum computers are able to solve …

Quantum algorithms and their applications Read More »

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Project reference: 2118 Quantum computing is one of the scientific hot-topics nowadays with the potential to vastly improve our computation capacity in certain areas due to its use of quantum-bits offering superpositions and much faster computation, subsequently. Thus, it seems …

Molecular Dynamics on Quantum Computers Read More »

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Project reference: 2121 Today’s supercomputing hardware provides a tremendous amount of floating point operations (FLOPs). However,  most FLOPs can only be harvested easily, if the algorithm does exhibit lots of parallelism. Additionally, efficient use of resources strongly depends on the …

Tiny, tiny, tasks! Huge Impact? Read More »

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Project reference: 2120 Simulations of classical or quantum field theories often rely on a lattice discretized version of the underlying theory. For example, simulations of Lattice Quantum Chromodynamics (QCD, the theory of quarks and gluons) are used to study properties …

High Performance Quantum Fields Read More »

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Project reference: 2115 Python is widely used in scientific research for tasks such as data processing, analysis and visualisation. However, it is not yet widely used for large-scale modelling and simulation on high performance computers due to its poor performance …

Performance of Parallel Python Programs on ARCHER2 Read More »

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Project reference: 2114 Recent technological advances allow us to assess millions of genetic data points (>30 million) to identify their involvement in disease. This is a two orders of magnitude increase compared to the data available a few years ago. …

Re-engineering and optimizing Software for the discovery of gene sets related to disease Read More »

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Project reference: 2113 Exploitation of renewable energy sources is critical for humanity to timely address issues raised by climate change and for transitioning towards a sustainable zero-carbon economy. MPAS Atmosphere model, developed by the US National Center for Atmospheric Research, …

Investigating Scalability and Performance of MPAS Atmosphere Model Read More »

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Project reference: 2112 Datacentre in production are characterized by the combination of extreme parallelism and performance demand. This translates in large number of resources to be management constantly stressed by intense computational patterns. Each of the HW and SW resources …

Combining Big-data, AI and 3D visualization for datacentre optimization Read More »

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Project reference: 2111 Automatic techniques for recognition of submarine structures (e.g. canyons) are an absolute novelty in the Oceanographic field. Excluding some preliminary experiments (Ismail et al -2015, Huvenne -2002), right now the recognition on the seabed of structures like …

Automated Classification for Mapping submarine structures by Artificial Intelligence strategies Read More »

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Project reference: 2110 High Energy Physics (HEP) community traditionally employed High Throughput Computing (HTC) type of facilities for the purpose of LHC data processing and various types of physics analyses. Furthermore, with recent convergence of AI and HPC, it becomes …

High Throughput HEP Data Processing at HPC Read More »

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Project reference: 2109 High Energy Physics (HEP) community has a large number of various workloads (e.g. pure statistical analysis vs LHC event reconstruction) that differ not only by their requirements (compute vs I/O driven) but also by the capability of …

Benchmarking HEP workloads on HPC facilities Read More »

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Project reference: 2108 Solution of independent-particle model (DFT or Hartree-Fock method) is one of the key targets of many quantum chemistry codes. Hartree-Fock method is iterative procedure which consist of two time-consuming steps. First, construction of Fock matrix from integrals …

Efficient Fock matrix construction in localized Hartree-Fock method Read More »

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Project reference: 2107 Neural networks (NN) and deep learning are two success stories in modern artificial intelligence. They have led to major advances in image recognition, automatic text generation, and even in self-driving cars. NNs are designed to model the …

Neural networks in quantum chemistry Read More »

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Project reference: 2106 The NMMB/MONARCH (formerly NMMB/BSC-Dust) (Pérez et al., 2011; Haustein et al., 2012) is an online multi-scale atmospheric dust model designed and developed at the Barcelona Supercomputing Center (BSC-CNS) in collaboration with the NOAA’s National Centers for Environmental …

Improvement of a python package to provide multiple standardized interpolation methods for atmospheric chemistry models Read More »

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