Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
ML predictions of H2 capacities for 820,093 unseen MOFs
Predicted capacities for (A) PS and (B) temperature + PS operation. Colors indicate the originating database for a given MOF. (C and D) Validation of ML-predicted capacities for the highest-capacity MOFs identified by ML; shown in the rectangular regions in (C and D) using GCMC simulations. For comparison, the capacities of PCN-610/NU-100 (PS: 10.1 wt %, 35.5 g-H2 L−1) and MOF-5 (TPS: 7.8 wt %, 51.9 g -H2 L−1) are shown.1
