Papers matching “computational methods” 2,863
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Efficient workflow for the investigation of the catalytic cycle of water oxidation catalysts: Combining GFN‐xTB and density functional theory2021 Journal of Computational Chemistry article Physics and Astronomy Advanced Chemical Physics Studies Open access
Jan Paul Menzel, M. Kloppenburg, Jelena Belić, Huub J. M. de Groot, Lucas Visscher, Francesco Buda
21citations -
A multivariate regression parametric study on DEM input parameters of free-flowing and cohesive powders with experimental data-based validation2020 Computational Particle Mechanics article Engineering Granular flow and fluidized beds Open access
Bilal El-Kassem, Nizar Salloum, Thomas Brinz, Yousef Heider, Bernd A. Markert
35citations -
Global sensitivity study for irreversible electroporation: Towards treatment planning under uncertainty2023 Medical Physics article Biochemistry, Genetics and Molecular Biology Microbial Inactivation Methods Open access
Prashanth Lakshmi Narasimhan, Zoi Tokoutsi, Davide Baroli, Marco Baragona, Karen Veroy, Ralph Maessen, +1 more
8citations -
A hybrid approach for solving the gravitational N-body problem with Artificial Neural Networks2023 Journal of Computational Physics article Physics and Astronomy Model Reduction and Neural Networks Open access
Veronica Saz Ulibarrena, Philipp Horn, Simon Portegies Zwart, Elena Sellentin, Barry Koren, Maxwell Xu Cai
7citations -
A machine‐learning supported multi‐scale LBM‐TPM model of unsaturated, anisotropic, and deformable porous materials2023 International Journal for Numerical and Analytical Methods in Geomechanics article Engineering Soil and Unsaturated Flow Open access
Mohamad Chaaban, Yousef Heider, WaiChing Sun, Bernd A. Markert
21citations -
EXCELLERATP2 D3.2 First Updated Report on Exa-Enabling Methodologies2026 Zenodo (CERN European Organization for Nuclear Research) article Engineering Computational Fluid Dynamics and Aerodynamics Open access
Ansgar Niemöller, Matthias H. Meinke, Joeffrey Legaux, Mohamed Ibrahim Ghenai, Michael Wagner, Tufan Arslan, +12 more
0citations -
Reduced-cost construction of Jacobian matrices for high-resolution inversions of satellite observations of atmospheric composition2021 Atmospheric measurement techniques article Environmental Science Atmospheric and Environmental Gas Dynamics Open access
Hannah O. Nesser, Daniel J. Jacob, Joannes D. Maasakkers, Tia R. Scarpelli, Melissa Payer Sulprizio, Yuzhong Zhang, +1 more
30citations