ProductSimulation Software

gRASPA

GPU-accelerated molecular-simulation code for modeling gas adsorption in porous materials.

Covered in 1 article · April 2026

Mentioned in

Apr 16, 2026

HPCArgonne Turns a Plain-English Prompt Into 11,182 GCMC Runs on Aurora

Covered alongsideAnthropic Argonne Leadership Computing Facility Argonne National Laboratory Aurora ChemGraph gpt-oss-120b