most citedMOFA: Discovering Materials for Carbon Capture with a GenAI- and Simulation-Based Workflow

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cond-mat.mtrl-sci2026★ 2 cited

From Atomistic Models to Machine Learning: Predictive Design of Nanocarbons under Extreme Conditions

Xiaoli Yan, Millicent A. Firestone, Murat Keceli +2

The formation of technologically valuable nanocarbon structures under extreme conditions, such as those produced during high-explosive detonations, remains poorly understood but ho…