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Computer Applications in Science & Engineering
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Catalytic synergy between Pd nanoclusters and Ligand-functionalized layered silicates for improved formic acid dehydrogenation
(American Chemical Society (ACS), 2024-11-18)
Article
Restricted access - publisher's policyThe synthesis and stabilization of Pd nanoclusters on a support, as well as simultaneously achieving optimal catalytic activity, remain challenging tasks. Functionalizing the support surface with specific ligands offers a ... -
Simulation of the 1d XY model on a quantum computer
(SciPost Foundation, 2025)
Article
Open AccessThe field of quantum computing has grown fast in recent years, both in theoretical advancements and the practical construction of quantum computers. These computers were initially proposed, among other reasons, to efficiently ... -
Comparison of Airflow and Particle Deposition in Different Acinus Geometries
(Forschungszentrum Jülich GmbH, 2025)
Conference lecture
Open AccessThis work is one of three components (upper airways, lower conducting airways, and respiratory zones) of a digital twin lung model developed by the Physical and Numerical Modelling research group at the CASE department of ... -
Computational modeling of particles fate in nasal drug treatments
(Forschungszentrum Jülich GmbH, 2024)
Conference report
Open AccessThe present work is one of the three pieces (upper airways, lower conductive and respiratory zones) of a digital twin lung model developed by the Physical and Numerical Modelling research group of the CASE department at ... -
Lung digital twin COVID-19 infection: a multiphysics - multiscale HPC-modeling based on CFPD and agent-based model coupled simulations
(Forschungszentrum Jülich GmbH, 2024)
Conference report
Open AccessThe present work is one of the three pieces (upper airways, lower conductive airways and respiratory zone) of a digital twin lung model developed by the Physical and Numerical Modelling research group from the CASE department ... -
Numerical analysis of laminar velocity-forced premixed slit flames using modal decomposition techniques
(Elsevier, 2024-11)
Article
Restricted access - publisher's policyThe relation between Proper Orthogonal Decomposition (POD), Dynamic Mode Decomposition (DMD) and Flame Transfer Functions (FTF) is explored to gain further insight into the dynamics of two-dimensional laminar slit flames ... -
Irregular self-similar configurations of shock-wave impingement on shear layers
(2019-08-10)
Article
Open AccessAn oblique shock impinging on a shear layer that separates two uniform supersonic streams, of Mach numbers M1 and M2, at an incident angle si can produce regular and irregular interactions with the interface. The region ... -
Co-designing ab initio electronic structure methods on a RISC-V vector architecture [version 3; peer review: 4 approved, 1 approved with reservations]
(2024-11-14)
Article
Open AccessAb initio electronic structure applications are among the most widely used in High-Performance Computing (HPC), and the eigenvalue problem is often their main computational bottleneck. This article presents our initial ... -
Active flow control for drag reduction through multi-agent reinforcement learning on a turbulent cylinder at ReD=3900
(Springer, 2025)
Article
Open AccessThis study presents novel drag reduction active-fow-control (AFC) strategies for a threedimensional cylinder immersed in a fow at a Reynolds number based on freestream velocity and cylinder diameter of ReD = 3900. The ... -
Data-driven modeling of resolved and filtered thermo-diffusively unstable hydrogen–air flames
(Elsevier, 2024)
Article
Open AccessHydrogen premixed flames, under technically relevant conditions, are affected by intrinsic instabilities due to hydrodynamic and thermodiffusive effects, which are not taken into account by traditional turbulent combustion ... -
Effect of inlet conditions in hydrogen–air supersonic reactive mixing layers
(Institute for Dynamics of Explosions and Reactive Systems (IDERS), 2023)
Conference report
Restricted access - author's decisionThe chemical reaction of two supersonic flow streams of fuel and oxidizer is of great interest to the development of advanced hypersonic systems for aircraft propulsion such as scramjets. A large number of numerical studies ... -
Deep reinforcement learning for active flow control in a turbulent separation bubble
(Nature Research, 2025)
Article
Open AccessThe control efficacy of deep reinforcement learning (DRL) compared with classical periodic forcing is numerically assessed for a turbulent separation bubble (TSB). We show that a control strategy learned on a coarse grid ...
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