2 papers
cond-mat.mtrl-sci2025
The Open DAC 2025 Dataset for Sorbent Discovery in Direct Air Capture
Anuroop Sriram, Logan M. Brabson, Xiaohan Yu +12
Identifying useful sorbent materials for direct air capture (DAC) from humid air remains a challenge. We present the Open DAC 2025 (ODAC25) dataset, a significant expansion and imp…
cond-mat.mtrl-sci2025
Comparing classical and machine learning force fields for modeling deformation of solid sorbents relevant for direct air capture
Logan M. Brabson, Andrew J. Medford, David S. Sholl
Direct air capture (DAC) with solid sorbents such as metal-organic frameworks (MOFs) is a promising approach for negative carbon emissions. Computational materials screening can he…