"GHP-MOFassemble: Diffusion modeling, high throughput screening, and ..."

Hyun Park et al. (2023)

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DOI: 10.48550/ARXIV.2306.08695

access: open

type: Informal or Other Publication

metadata version: 2024-11-19

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Hyun Park, Xiaoli Yan, Ruijie Zhu, Eliu A. Huerta, Santanu Chaudhuri, Donny Cooper, Ian T. Foster, Emad Tajkhorshid:
GHP-MOFassemble: Diffusion modeling, high throughput screening, and molecular dynamics for rational discovery of novel metal-organic frameworks for carbon capture at scale. CoRR abs/2306.08695 (2023)

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