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Updated: Jun 25, 2025

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Author Spotlight: Standardizing the Development of Amine-Based Silica Composites as CO2 Adsorbents for Direct Air Capture
Published on: September 29, 2023
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The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture
Anuroop Sriram1, Sihoon Choi1,2, Xiaohan Yu2
1Fundamental AI Research, Meta AI, Meta, Menlo Park, California 94025, United States.
ACS Central Science
|May 27, 2024
Abstract:
Direct air capture (DAC) of CO2 with porous adsorbents such as metal-organic frameworks (MOFs) has the potential to aid large-scale decarbonization. Previous screening of MOFs for DAC relied on empirical force fields and ignored adsorbed H2O and MOF deformation. We performed quantum chemistry calculations overcoming these restrictions for thousands of MOFs. The resulting data enable efficient descriptions using machine learning.

