23 citations · 60 across the 36 of their papers we have counts for
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cs.AI2026
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…
cs.AI2025★ 1 cited
Towards Fully Automated Molecular Simulations: Multi-Agent Framework for Simulation Setup and Force Field Extraction
Marko Petković, Vlado Menkovski, Sofía Calero
Automated characterization of porous materials has the potential to accelerate materials discovery, but it remains limited by the complexity of simulation setup and force field sel…