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Recent Submissions

  • Catalytic synergy between Pd nanoclusters and Ligand-functionalized layered silicates for improved formic acid dehydrogenation 

    Doustkhah, Esmail; Yusufoğlu, Muhammed; El-Hosainy, Hamza; Zarenezhad, Hamaneh; Ide, Yusuke; Gutiérrez Moreno, José Julio; Assadi, M. Hussein N. (American Chemical Society (ACS), 2024-11-18)
    Article
    Restricted access - publisher's policy
    The 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 

    Farreras, Marc; Cervera Lierta, Alba (SciPost Foundation, 2025)
    Article
    Open Access
    The 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 

    Eguzkitza, Beatriz; Arnedo, Carlos; Nassetti, Filippo; Calderon, Jerónimo; Houzeaux, Guillaume (Forschungszentrum Jülich GmbH, 2025)
    Conference lecture
    Open Access
    This 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 

    Ceccacci, Silvia; Vicente Porres, José Ángel; Rio Grela, Nerea; Calmet, Hadrien; Gargallo Peiró, Abel; Rigaut, Clement; Haut, Benoit; Houzeaux, Guillaume; Eguzkitza, Ane Beatriz (Forschungszentrum Jülich GmbH, 2024)
    Conference report
    Open Access
    The 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 

    Novell Mazzara, Alice; Muñoz Puente, Fernando; Ntiniakou, Thaleia; Montagud Aquino, Arnau; Houzeaux, Guillaume; Eguzkitza, Ane Beatriz (Forschungszentrum Jülich GmbH, 2024)
    Conference report
    Open Access
    The 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 

    Rodriguez Pastor, Marc; Koumides, Phivos; Pérez Sánchez, Eduardo J.; García Tíscar, Jorge; Broatch Jacobi, Jaime Alberto; Mira Martínez, Daniel (Elsevier, 2024-11)
    Article
    Restricted access - publisher's policy
    The 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 

    Martínez Ruiz, Daniel; Huete Ruiz de Lira, César; Martínez Ferrer, Pedro José; Mira Martínez, Daniel (2019-08-10)
    Article
    Open Access
    An 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] 

    Grima Torres, Rogeli; Vizcaíno Serrano, Pablo; Mantovani, Filippo; Gutiérrez Moreno, José Julio (2024-11-14)
    Article
    Open Access
    Ab 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 

    Suárez Morales, Pol; Alcántara Ávila, Francisco; Miró Jané, Arnau; Rabault, Jean; Font García, Bernat; Lehmkuhl Barba, Oriol; Vinuesa Motilva, Ricardo (Springer, 2025)
    Article
    Open Access
    This 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 

    Remiddi, Arianna; Lapenna, Pasquale Eduardo; Cavalieri, Davide; Schintu, Davide; Indelicato, Giuseppe; Attili, Antonio; Berger, Lukas; Pitsch, Heinz; Creta, Francesco (Elsevier, 2024)
    Article
    Open Access
    Hydrogen 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 

    Huete Ruiz de Lira, César; Martínez Ferrer, Pedro José; Martínez-Ruiz, Daniel; Mira Martínez, Daniel (Institute for Dynamics of Explosions and Reactive Systems (IDERS), 2023)
    Conference report
    Restricted access - author's decision
    The 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 

    Font, Bernat; Alcántara Ávila, Francisco; Rabault, Jean; Vinuesa, Ricardo; Lehmkuhl, Oriol (Nature Research, 2025)
    Article
    Open Access
    The 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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