Research team
Expertise
Mathematical modelling of biological, physical and chemical processes and the numerical solution of the resulting equations Efficient numerical methods that solve large-scale linear algebra problems, optimalisatie problems and systems of non-linear equations on high-performances computer hardware Large scale planningsproblems.
Subspace solvers for non-smooth dynamical systems.
Abstract
Non-smooth dynamical systems have, next to the evolution equation, a system of inequalities that limit the motion. Many systems in society and industry are modelled in this way, for example soft robotic systems. In this project we will develop novel mathematical methods for the automatic bifurcation analysis of these systems. We will develop novel subspace methods that take into account the inequalities in the system. The ultimate objective is to enable scalability to dynamical systems characterized by millions of unknowns, thereby facilitating comprehensive exploration and understanding of their complex behaviorsResearcher(s)
- Promoter: Vanroose Wim
- Fellow: Wagemakers Lara
Research team(s)
Project type(s)
- Research Project
High-level specialised application support service in High-Performance Computing (HPC) (EPICURE).
Abstract
EuroHPC Joint Undertaking is deploying a European-wide High-performance Computing infrastructure, comprising a number of supercomputers, that range from small petascale, to large high-end pre-exascale and exascale systems, topping the relevant global rankings. To date, part of the responsibilities of the Hosting Entities is the provision of support services to users that are selected by EuroHPC to access the systems. These services are currently limited primarily to Level 1 support which mostly entails a help desk support for day-by-day operational issues and problems. This proposal aims at ameliorating this offering by establishing and operating a distributed but coordinated European-wide high-performance computing application support service, to encourage the best possible uptake of the systems by European scientists and researchers. Application Support Teams (ASTs), established in current and future EuroHPC Hosting Entities, in collaboration with key support actions funded by the EuroHPC JU, will provide their services aiming primarily at Level 2 and 3 application support encompassing in particular application porting, optimisation and execution of key applications to a selected number of projects which have been allocated time by peer-review process managed by the EuroHPC JU. These services include the organisation of specialized training events and workshops in the context of high-profile international HPC events. Finally, this proposal includes the development of a single point of contact (in the form of a European HPC Application Support portal) that will allow European HPC users from public and private sector including SMEs, to retrieve information on the systems offered by the Joint Undertaking, their architectures, their access mechanisms, and the support services available.Researcher(s)
- Promoter: Becuwe Stefan
- Co-promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
HugeOPT: Krylov accelerated splitting methods for huge-scale network optimization.
Abstract
Efficiently solving huge-scale optimization problems is undoubtedly very important in science and technology. Many optimization problems can be described using some underlying network structure. For example, the optimal assignment of a crew to a given flight schedule can be formulated as an optimization problem over a very large graph. Similarly, constraint based modelling of biochemical networks also leads to optimization problems with millions of unknowns. A network structure typically induces useful structure in the constraints, which then of course can be exploited by using suitably chosen linear algebra techniques. Current off-the-shelf software is not able to efficiently solve such problems when the number of variables is very large, especially when the objective function is nonconvex and possibly contains a nonsmooth term. Hence, there is a need to develop high-performance structure exploiting algorithms. In this project we aim to develop a wide range of efficient optimization algorithms for both convex and nonconvex problems, possibly containing a nonsmooth term in the objective function, by exploiting structure that arises from the networks. High-performance implementations of the resulting algorithms will be made available in an open- source software package such that non-expert practitioners can easily them.Researcher(s)
- Promoter: Ahookhosh Masoud
- Co-promoter: Vanroose Wim
- Fellow: Rahimi Khorzoughi Morteza
Research team(s)
Project type(s)
- Research Project
National Competence Centres in the framework of EuroHPC Phase 2
Abstract
The National Competence Centres (NCCs) are the central points of contact for HPC and related technologies in their country. Their missions are to: - Develop and display a comprehensive and transparent map of HPC competences and institutions in their country - Act as a gateway for industry and academia to providers with suitable expertise or relevant projects, may that be national or international - Collect HPC training offers in their country and display them in a central place together with international training offers collected by other NCCs - Foster the industrial uptake of HPCResearcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
CalcUA
Abstract
CalcUA stimulates the use of scientific and technical computing by providing access to state-of-the art computer hardware infrastructure. It shares knowledge, expertise, and training on the efficient use of this hardware in combination with the best available algorithms. It makes it possible to solve largescale scientific problems in a distributed way. In this way users will take advantage of the latest possibilities of scientific and technical computing in their research and R&D. It creates an environment for the exchange of ideas and expertise on large-scale simulation and the processing of large sets of data and related scientific problems. It is part of the Flemish Supercomputer Centre, which provides part of the funding for the personnel and hardware. Funding as a core facility will create a multiplier effect at UAntwerpen by investing in training, community building and the creation of new applications and externally funded joint projects between research groups, CalcUA, and local industry at the national and international level.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Becuwe Stefan
- Co-promoter: De Winter Hans
- Co-promoter: Herrebout Wouter
- Co-promoter: Latré Steven
Research team(s)
Project type(s)
- Research Project
The Large Unified Modern Infrastructure (LUMI).
Abstract
The European High-Performance Computing Joint Undertaking (EuroHPC JU) is pooling European resources to develop top-of-the-range exascale supercomputers for processing big data, based on competitive European technology. One of the pan-European pre-exascale supercomputers, LUMI, is located in CSC's data center in Kajaani, Finland. The supercomputer is hosted by the LUMI consortium. The LUMI (Large Unified Modern Infrastructure) consortium countries are Finland, Belgium, the Czech Republic, Denmark, Estonia, Iceland, the Netherlands, Norway, Poland, Sweden, and Switzerland.Researcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Support maintenance scientific equipment (Computational Mathematics).
Abstract
Researcher(s)
- Promoter: Cuyt Annie
- Promoter: In't Hout Karel
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Mixed precision interior-point method for solving linear and quadratic programming problems.
Abstract
In this project we will develop interior point methods with mixed precision. Novel hardware can do floating point arithmetic with lower precision. We will analyse how the interior point method can be accelerated with the help of low precision preconditionsResearcher(s)
- Promoter: Vanroose Wim
- Fellow: Cornelis Jeffrey
Research team(s)
Project type(s)
- Research Project
Agreement on the financing of large computing capacity at the University of Antwerp and Association Antwerp University and Antwerp Colleges (2021).
Abstract
This project represents a formal agreement between UAntwerpen and on the other hand the Flemish Public Service. UAntwerpen provides HPC infrastructure and support to researchers under the conditions as stipulated in this contract.Researcher(s)
- Promoter: Cuyt Annie
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
National Competence Centres in the framework of EuroHPC (EuroCC).
Abstract
The National Competence Centres (NCCs) are the central points of contact for HPC and related technologies in their country. Their missions are to: - Develop and display a comprehensive and transparent map of HPC competences and institutions in their country - Act as a gateway for industry and academia to providers with suitable expertise or relevant projects, may that be national or international - Collect HPC training offers in their country and display them in a central place together with international training offers collected by other NCCs - Foster the industrial uptake of HPCResearcher(s)
- Promoter: Cuyt Annie
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Nationaal Competentiecentrum (NCC) - EuroHPC - NCC
Abstract
The National Competence Centres (NCCs) are the central points of contact for HPC and related technologies in their country. Their missions are to: - Develop and display a comprehensive and transparent map of HPC competences and institutions in their country - Act as a gateway for industry and academia to providers with suitable expertise or relevant projects, may that be national or international - Collect HPC training offers in their country and display them in a central place together with international training offers collected by other NCCs - Foster the industrial uptake of HPCResearcher(s)
- Promoter: Cuyt Annie
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
FleXray: Flexible X-ray imaging for the next generation of tomographic applications.
Abstract
PC-CT reveals complementary information to traditional attenuation based X-ray imaging (i.e. higher contrast in soft tissue). The FleXray system will allow us to acquire data to fully explore a far wider range of applications and opportunities for PC-CT that are currently not possible: ● Exploration of advanced CT acquisition models to enable reconstruction from (1) fewer projection images and (2) projection images acquired during continuous sample rotation. This will result in faster PC-CT imaging (currently up to 8 times longer than regular CT). ● Dark field tomography is only in its infancy but recently showed huge potential in material characterisation. The FleXray system will open new research lines on dark field tomography, in particular in accurate and precise estimation of localized scattering profiles. ● Development of Krylov solvers with much faster convergence for simultaneous multimodal reconstruction of full 3D images of attenuation, phase and dark field signals.Researcher(s)
- Promoter: Sijbers Jan
- Co-promoter: De Beenhouwer Jan
- Co-promoter: Janssens Koen
- Co-promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Asynchronous Krylov methods with deep pipelines.
Abstract
In recent years a major trend towards solving scientific problems of ever larger scales that include larger and larger data sets can be observed in practically all academic and industrial applications. These include the simulation of vast ocean circulation models, global climate prediction models, extremely fine-scale combustion models, etc. The representation of these models on a computer requires the solution of a large-scale system of equations that typically consists of millions of unknowns. Due to the huge size of these model calculations, computations are often spread across parallel computer platforms to reduce the time-to-solution. Krylov methods have been established as the benchmark iterative solvers for the sparse linear algebra problems that appear in these applications. However, Krylov methods are not adapted to scale to future parallel hardware due to the long communication latencies. Hence, new numerical methods have to be designed and analyzed mathematically. The aim of this project is to develop and analyze new scalable iterative methods based on asynchronous communication that hide the communication latency by overlapping compute and communication tasks. Furthermore we will develop blocked versions of these algorithms for problems where the same matrix equation needs to be solved for multiple right hand sides. Demonstrators will be built that show the performance improvements for a wide range of applications in data science and scientific computing.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Cools Siegfried
- Fellow: Cornelis Jeffrey
Research team(s)
Project type(s)
- Research Project
High performance iterative reconstruction methods for Talbot‐Lau grating interferometry based phase contrast tomography.
Abstract
Phase Contrast X‐ray Computed Tomography (CT) measures besides the intensity also changes in the phase of a transmitted X‐rays. These changes give exquisite and complementary information about the object, in particular about soft tissues. More and more CT systems are able to measure these phases. However, the development of efficient mathematical reconstruction algorithms that reconstruct the 3D object from the measured data is only in its early stages. This project will make progress in the modelling of the data acquisition process and the reconstruction algorithms. It is a collaboration between the group A pplied Mathematics and the V ision Lab . Valorisation will be realized by the distribution of the new algorithms through the ASTRA toolbox and the initiation of research collaborations, licensing deals and contract research with industry.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Sijbers Jan
Research team(s)
Project type(s)
- Research Project
Scalable and error resilient iterative solvers for large scale linear algebra problems.
Abstract
In recent years, a major trend towards solving scientific problems of ever larger scales can be observed in practically all academic and industrial applications. These include the simulation of vast ocean circulation models, global climate prediction models, seismic oil reservoir models spanning hundreds of kilometers, extremely fine-scale combustion models, etc. The representation of these models on a computer requires the solution of a large-scale system of equations that typically consists of millions of unknowns. Due to the huge size of these model calculations, computations are often spread across parallel computer platforms to reduce computational time. Furthermore, only the numerical methods with optimal compute and communication complexity are able to efficiently solve these large scale problems. Krylov methods have been established as the benchmark iterative solvers for sparse linear algebra problems due to their robustness and good performance in function of the number of unknowns. However, present-day Krylov methods are not adapted to scale to future parallel hardware. Hence, new numerical methods have to be designed and analyzed mathematically, taking into account numerical rounding error propagation, which possibly has a detrimental effect on convergence. The aim of this project is to develop and analyze new scalable iterative methods that are numerically stable and resilient to the errors that typically arise in these large-scale computations.Researcher(s)
- Promoter: Vanroose Wim
- Fellow: Cools Siegfried
Research team(s)
Project type(s)
- Research Project
Exaptation: Scalable solutions for image-based and across-partner compound activity prediction and application to compound selection
Abstract
The aim of the project is to extend the applicability of prediction of compound activity and the extension of the number of data sources that can be combined. We alos aim to apply the the methods to currently running drug development. Due to the scale and the size of the data sets high performance computing is required.Researcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Emergent Phenomena in Multicomponent Quantum Condensates.
Abstract
Quantum effects usually only matter at the microscopic scale. However, in superconductors and superfluids these quantum effects appear on a macroscopic level, leading to surprising properties such as frictionless or lossless flow. The macroscopic quantum state arises from the collective behavior of a large number of microscopic particles (Bose-Einstein condensation). In the case of fermionic particles these must first pair up. Neutral particles lead to superfluidity, charged ones to superconductivity. Both cases are described by the same underlying mathematical formalism. The discovery of superfluidity in magnesium diboride in 2001 marked the appearance of a new class of macroscopic quantum systems, the so-called multiband systems. They are characterized by multiple types of pairs, leading to a mixture of quantum condensates. This mixing of different types of quantum fluids within the confines of a single fluid or solid leads to a rich set of novel phenomena. Experimentally not only multiband superconductors have been realized but also multiband superfluids. The goal of the project is to study the interplay between these multiple quantum condensates and to quantify the effects of mixing. We aim to develop and extend the mathematical formalism to the multiband case, and to develop efficient solvers for the non-linear field equations characteristic for this formalism. This will be applied to study a wide range of macroscopic quantum phenomena, both for multiband superfluids and for multiband superconductors.Researcher(s)
- Promoter: Tempere Jacques
- Co-promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Exascale Algorithms and Advanced Computational Techniques (EXA2CT).
Abstract
The EXA2CT project brings together experts at the cutting edge of the development of solvers, related algorithmic techniques, and HPC software architects for programming models and communication. It will take a revolutionary approach to exascale solvers and programming models, rather thean the incremental approach of other projects.Researcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Statistical inference for varying coefficient functions.
Abstract
We consider models with varying coefficients, i.e. linear models in which the response and/or explanatory variables vary with another variable, for example time. These types of models can for example be used in HIV research, where the number of T-cells decreases over time and in addition depends on the number of T-cells at the time of infection. Moreover we study ordinary differential equations with varying coefficients that allow describing the dynamics of continuously changing processes. We estimate the varying coefficients by P-splines. This widely used sparse flexible smoothing technique has as an important advantage (over other smoothing techniques such as B-splines or smoothing splines) that the unknown functions can be modeled in a rich basis, while introducing sparsity by adding a penalty. The main aim of this project is to develop statistical methods that focus on qualitative features of the varying coefficients functions, e.g. whether a coefficient is really varying (in contrast to being constant) or whether it is a monotonic increasing function. Moreover we want to test general hypotheses concerning the coefficient functions, by exploiting the nice properties of P-splines such as its linearity in the basis functions.Researcher(s)
- Promoter: Vanroose Wim
- Promoter: Verhasselt Anneleen
- Fellow: Ahkim Mohamed
Research team(s)
Project type(s)
- Research Project
Simulation of image formation in X-ray phase contrast tomography
Abstract
Grating based differential phase contrast tomography is a new experimental technique to offers very exquisite images of soft tissues. However, the artifacts in the current images prohibit the accurate reconstruction of the inside of an object. The project aims to develop the algorithms that allow a quantitative reconstruction of this techniqueResearcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Sijbers Jan
Research team(s)
Project type(s)
- Research Project
A Systems Biology Approach of Leaf Morphogenesis.
Abstract
Developmental processes involve a complex network of interactions between multiple regulatory processes that traditionally are studied separately. We propose a systems biology approach, whereby experimental biologists closely interact with mathematical modellers, to unravel the functional relationships between auxin signalling, cell division and expansion and whole leaf morphogenesis.Researcher(s)
- Promoter: Beemster Gerrit
- Co-promoter: Broeckhove Jan
- Co-promoter: Prinsen Els
- Co-promoter: Vanroose Wim
- Co-promoter: Vissenberg Kris
Research team(s)
Project type(s)
- Research Project
Numerical methods for vortex patterns in nonlinear partial differential equations.
Abstract
In this work, we focus on the numerical treatment of vortex patterns in realistic systems modeled by the Ginzburg-Landau equations, i.e., phase field equations that are frequently used to model physical systems exhibiting patterns. They are used, amongst others, to model superconductors, Bose-Einstein condensates, nonlinear waves, and objects of string field theory.Researcher(s)
- Promoter: Vanroose Wim
- Fellow: Schlömer Nico
Research team(s)
Project type(s)
- Research Project
Flanders High Performance Computing Lab.
Abstract
This project represents a research agreement between the UA and on the onther hand IWT. UA provides IWT research results mentioned in the title of the project under the conditions as stipulated in this contract.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Broeckhove Jan
Research team(s)
Project type(s)
- Research Project
Computational methods for the exact dynamics of molecules in intense lasers.
Abstract
This is a fundamental research project financed by the Research Foundation - Flanders (FWO). The project was subsidized after selection by the FWO-expert panel.Researcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Hybrid macroscopic and microscopic simulation of laser ablation.
Abstract
An accurate simulation of laser ablation requires a good description of the solid state, melt, Knudsen layer, plasma and interaction with the laser beam. We propose a hybrid model for these simulations that combines particle-based simulations with partial differential equations. The project will develop and analyze the numerical methods and apply them to realistic systems. The new approach may have a large impact on the field.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Bogaerts Annemie
Research team(s)
Project type(s)
- Research Project
A 3-D simulation model of leaf growth in Arabidopsis thaliana.
Abstract
The aim of the project is to develop a 3-D mathematic simulation model of inter-actions at the molecular, cellular and organ level during leaf growth in Arabidopsis thaliana. We will start from an existing 2-D model of vascular development that was build in the previous research group of the Promotor. This model will be extended to include multiple cell layers and modules for cell division and expansion.Researcher(s)
- Promoter: Beemster Gerrit
- Co-promoter: Broeckhove Jan
- Co-promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Numerical analysis of hierarchical methods for phase field problems.
Abstract
Researcher(s)
- Promoter: Vanroose Wim
- Fellow: Schlömer Nico
Research team(s)
Project type(s)
- Research Project
Scattering and reaction calculations in microscopic many-cluster models for light nuclei with exterior complex scaling and interative methods.
Abstract
The main aim of this project is to introduce new computational tools, based on the External Complex Scaling methodology developed in atomic and molecular physics, for microscopic scattering and reaction calculations in cluster models for light nuclei.Researcher(s)
- Promoter: Arickx Frans
- Promoter: Broeckhove Jan
- Co-promoter: Arickx Frans
- Co-promoter: Broeckhove Jan
- Co-promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Iterative methods for linear and non-linear Schrodinger equations
Abstract
The aim of the project is to develop efficient computational methods, based on Krylov space methods, to solve the linear and non-linear Schrödinger equations. This will enable the theoretical methods to move from the approximate 2D models to the more realistic 3D description. The methods will be applied to practical physical problems: to solve the non-linear time-dependent and time-independent Ginzburg-Landau equations for the study of the vortex structure and dynamics in mesoscopic superconductors and to solve the linear Schrödinger equation for realistic self-assembled quantum dots.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Milosevic Milorad
- Co-promoter: Partoens Bart
Research team(s)
Project type(s)
- Research Project
Hybrid macroscopic and microscopic modelling of laser ablation and expansion.
Abstract
The aim of the project is to develop hybrid methods that divide the spatial domain into subdomains where an appropriate microscopic or macroscopic model is used. The domains are connected in a physical and mathematically correct way. This makes it possible to limit the use of the expensive particle based methods to the regions of space where they are strictly necessary. We will apply this method to decribe the transport of particles in laser ablation from the surface. More specifically, the Knudsen layer, which is formed between the surface and the bulk, will be described at the particle level.Researcher(s)
- Promoter: Vanroose Wim
- Co-promoter: Bogaerts Annemie
Research team(s)
Project type(s)
- Research Project
Iterative and multigrid solvers for wave and scattering problems.
Abstract
This project proposes to develop numerical and mathematical methods for wave and scattering problems that are scalable to a large number of unknowns. The aim is to be able to simulate realistic problems in their full dimension and complexity. The focus is to extend multigrid methods to the Helmholtz probemResearcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Iterative methods for deterministic micro/macro problems.
Abstract
Many systems in science and technology are well understood at the level of the individuals e.g.: the atoms, molecules, or bacteria. In this project we will develop numerical and mathematical techniques to predict the macroscopic and collective behavior of a system with a large number of individuals. We use the micro/macro techniques to translate the behavior of individuals to the macroscopic evolution.Researcher(s)
- Promoter: Vanroose Wim
Research team(s)
Project type(s)
- Research Project
Partial differential equations and models based on individuals.
Abstract
This project represents a research contract awarded by the University of Antwerp. The supervisor provides the Antwerp University research mentioned in the title of the project under the conditions stipulated by the university.Researcher(s)
- Promoter: Vanroose Wim
- Fellow: Vanroose Wim
Research team(s)
Project type(s)
- Research Project