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GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale.

Hyun ParkXiaoli YanRuijie ZhuE. A. HuertaSantanu ChaudhuriDonny CooperIan T. FosterEmad Tajkhorshid
Published in: CoRR (2023)
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