23 citations · 60 across the 36 of their papers we have counts for
5 papers · 1 filter
RaspAssistant as an Agentic Framework for Automating Adsorption Simulation Research in Porous Materials
Marko Petković, Susanne Gooijer, José Manuel Vicent-Luna +2
Porous-material adsorption studies require coordinated structure preparation, force-field selection, simulation, validation, and interpretation, making end-to-end automation diffic…
Probabilistic Simulation of Gas-Liquid Interfaces with Coupled Flow Matching on Spherical Harmonics
Kiet Bennema ten Brinke, Rachna Ramesh, Douwe Orij +2
Bubbly flows involve strongly coupled bubble motion, deformation, and hydrodynamic interactions, making high-fidelity simulation computationally expensive. We propose a neural surr…
Probabilistic and Geometry Aware Neural Surrogate of Scrape Off Layer Plasma Simulations
Gabriele Gianuzzo, Stefan Dasbach, Fleur Hendriks +2
Fast surrogates for tokamak boundary-plasma simulation are typically deterministic regressors mapping a global operating point to a flattened vector of cell values. Near the divert…
A Dataset of Equilibrium State Configurations of Adsorption in Zeolites
Marko Petković, Rachna Ramesh, Vlado Menkovski +1
Zeolites are crystalline nanoporous materials widely used in adsorption, separation, and catalytic processes. Molecular simulations are commonly used to predict adsorption properti…
BubbleSH: A Dataset of Rising Bubbles with Deformable Interfaces
Rachna Ramesh, Kiet Bennema ten Brinke, Douwe Orij +2
Bubbly flows exhibit complex multiscale dynamics, with deformable bubbles interacting through the surrounding liquid and giving rise to strongly coupled kinematic and morphological…