PROGRAMME DUCOMS 2024

Time Programme
09:00-09:45 Walk-in
Juliana Foyer
09:45 – 10:00 Opening and Welcome
Juliana congress room
10:00 – 10:30 Sanne Abeln (University of Utrecht)
Learning to understand living systems
Juliana congress room
10:30 – 11:00 Hessel Winsemius (Rainbow Sensing)
From water data for all, to water data by all: changing dependencies and mandates
through global water data and models
Juliana congress room
11:00 – 11:30 Coffee Break
Juliana Foyer
11:30 – 12:00 Bruno Sudret (ETH Zurich)
Surrogate models for uncertainty quantification in engineering sciences
Juliana congress room
12:00 – 13:30 Lunch and Poster presentations
Juliana Foyer and Juliana congress room

MULTISCALE MODELLING & SIMULATION

  • Rik Verbiest (RUG) – Spatially adaptive simulation of a rarefied gas using hierarchical moment models
  • Bram van Dijk (UU) – Cacatoo: building, exploring, and sharing spatially structured models of biological systems
  • Filipe Antonio Cumaru Silva Alves (TU Delft) – Robust and scalable two-level overlapping Schwarz preconditioners for elliptic problems
  • Joep Storm (TU Delft) – A Microstructure-based Graph Neural Network for Accelerating Multiscale Simulations
  • Lucas Esclapez (NLeSC) – Predicting AMOC collapse probabilities with trajectory-adaptive multilevel sampling (TAMS)
  • Jaro Camphuijsen (NLeSC) – Modeling the biomechanics of cells on microcarriers in a stirred-tank bioreactor
  • Bart van den Boorn (DIFFER) – Simulating Photo-Electrochemical Water Splitting: A Spatio-Temporal Microkinetic Model of the Semiconductor and Interface
  • Qing Zhou (TU/e) – Multiscale modelling of conjugated polymers for stretchable electronics
  • Haoxiang Zhao (TU/e) – Role of interface in composite dielectrics materials: insight into charge trapping through multiscale modeling
  • Duarte Gonçalves (UM) – A computational framework for plasma assisted process intensification
  • Fabian Lie (UT) – Ab-initio calculations on Quasi-2D Perovskites and Excited State Forces​
  • Kostas Fykouras (UT) – First-principles calculations shed light onto the electronic structure and dynamics of organic-inorganic perovskite analogs
  • Wouter den Otter (UT) – Permeability of micropillar flow devices using Brinkman’s theory
  • Victoria Garibay (UvA) – DGL – PTM Framework: Scaling Communications in Multi-Agent Systems with Tensor Operations
  • Lourens Veen (NLeSC) – Software quality in computational science
  • Thor van Heesch (UvA) – From Blueprint to Simulation: MDNA for Designing and Analyzing Complex DNA Systems
  • Siddarth Chaturvedi (RU) – Foragax: An Agent-Based Modelling Framework Based on JAX
  • Youri Ran (UvA) – RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
  • Clint van H0esel (TU/e) – Triplet exciton-polaron quenching in phosphorescent OLEDs: unexpected influence of higher-order multipole interactions
  • Saber Shakibi (UU) – Hybrid computational modelling of cancer cell migration in confinement

DATA-DRIVEN METHODS

  • Marjolein de Jager (UU) – Studying the compaction of HIV DNA with a computational microscope
  • Eline Kempkes (UvA) – A Bayesian approach to explore and exploit molecular free-energy landscapes
  • Ewa Szymanska (FrieslandCampina) – Expert and data-driven approaches for big data analysis of industrial purification process
  • Alex Gabel (UvA) – Latent Space Neural Symmetry Detection with Lie Theory
  • Joeri van de Sande (UvA) – Towards an Orthostatic Hypotension Digital Twin in Healthcare: Parameter Optimization of a 0D Autoregulation Model
  • Linn Leppert (UT) – Halide Double Perovskites with a Spin: Identifying Semiconductors with Spin-Polarized Band Structures
  • Geerten Hengeveld (NIOO) – LTER-LIFE an infrastructure for building digital twins of ecosystems
  • Philip Wurzner (TU Delft) – Accelerating Density Functional Theory Melting Point Calculations using the Markov Chain Small Cell Method
  • Cunliang Geng (NLeSC) – TaxoTagger: Deep Learning and Semantic Search for DNA Barcode Identification

ULTRA-FAST COMPUTER SIMULATIONS USING MACHINE LEARNING

  • Hugo Melchers (TU/e) – Neural Green’s Operators for Parametric Partial Differential Equations
  • Coen Visser (TU Delft) – Point Marching Adaptive Collocation Method for Physics-Informed Neural Networks
  • Hrvoje Vrcan (RU) – Break down regimes in quantum simulations with machine learning
  • Sigur de Vries (RU) – GenProJax: a JAX-based framework for genetic programming

UNCERTAINTY & SENSITIVITY ANALYSIS

  • Frank Otto (UvA) – Influence of Computational and Procedural Parameters on The Coil Density Distribution in Fast Virtual Endovascular Coiling Simulations
  • Carlos Murilo Romero Rocha (NLeSC) – WNTR Quantum: a quantum-enabled water network simulation toolkit

ENERGY-EFFICIENT COMPUTING

  • Jelle van Dijk (UvA) – Evaluating Performance and Energy Efficiency of Emerging HPC Processors for a Coupled Scientific Simulation
  • Umut Can Altin (RU) – FPGAI Engine for Neural Network Training and Inference
  • Sophie Pronk (UvA) – Brain to Chip
Time Programme
13:30 – 15:00 Parallel sessions (invited and contributed talks)                                           
Juliana 1-4 and Juliana congress room

Chair: Ioana Ilie (UvA)

Invited talk: Peter Coveney (UvA & University College London) – Molecular Dynamics: Probability and Uncertainty

Contributed talks:

  • Roland V. Bumbuc (Amsterdam UMC) – The Acute Phase Response to Burn Injury: An In-Silico Modeling Approach
  • Massimiliano Paesani (UvA) – MetaParticles: Computationally engineered nanomaterials with tunable and responsive properties
  • Zhongquan Chen (TU/e) – Graph Random Walk for Time-of-Flight Charge Mobilities
  • Joost de Graaf (UU) – Fast Stokesian Dynamics using JAX

Chair: Tim Offermans (FrieslandCampina)

Invited talk: Rianne van den Berg (Microsoft Research) – AI for Science at Microsoft Research

Contributed talks:

  • Marius Kurz (CWI) – Equivariant closure modeling using graph neural networks and reinforcement learning
  • Koen Mesman (TU Delft) – Neural network parameter prediction for autoencoded variational quantum eigensolvers
  • Ahmed ElGazzar (Donders) – Generative Modeling of Complex Dynamical Systems with Latent SDEs
  • Daan van Vugt (Ignition Computing) – Accelerating plasma simulation with ML-assisted matrix solving

Chair: Georgi Gaydadjiev (TU Delft)

Invited talk: Said Hamdioui (TU Delft) – Computation-in Memory for edge AI: Opportunities and Challenges

Contributed talks:

  • Adhitya Bhawiyuga (UT) – Energy Efficiency in Cloud-Based Big Data Processing for Earth Observation: Current Approaches and Future Directions
  • Rutger Berns (RU) – Investigating computational advantage of Ising machines for quantum simulations
  • Leon Oostrum (NLeSC) – The Tensor-Core Beamformer: A Fast and Energy Efficient Signal-Processing Library
  • Arne Wulff (TU Delft) – Quantum Computing and Tensor Networks for Laminate Design: A Novel Approach to Stacking Sequence Retrieval

Chair: Karen Veroy-Grepl (TU/e)

Invited talk: Christoph Brune (UT) – Deep Kernel Representation & UQ for Scientific Machine Learning

Contributed talks:

  • Leon Riccius (TU Delft) – Zig-Zag Sampling with Approximate Event Rates for Bayesian Inference of Material Parameters
  • Kerstin Lux-Gottschalk (TU/e) – Impact of parameter uncertainty on climate tipping points
  • Frederike Oetker (UvA) – Framework for developing quantitative agent based models based on qualitative expert knowledge: an organised crime use-case
  • Daniele Avitabile (VU) – Uncertainty Quantification in Neurobiological Networks

Chairs: Mark Roest (VORTech), Stella Kapodistria (TU/e)

How can the Computational Science NL platform be of use to non-academic partners?

  • Introductions and brainstorming on ideas
  • Discussion in break-outs
  • Conclusion, summary, and next steps
Time Programme
15:00 – 15:30 Coffee Break
Juliana Foyer
15:30 – 16:00 Claudia Filippi (University of Twente)
From random walks to materials: Accurate quantum chemistry by chance and skill
Juliana congress room
16:00 – 16:30 Dirk Hartmann (Siemens)
Digital Twins Reimagined – The impact of AI and ML on Simulation
Juliana congress room
16:30 – 16:45 Closure & Awards
Juliana congress room
16:45 – 18:00 Drinks
Juliana Foyer