most citedFastCSP: Accelerated Molecular Crystal Structure Prediction with Universal Model for Atoms

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physics.chem-ph2026★ 1 cited

FastCSP: Accelerated Molecular Crystal Structure Prediction with Universal Model for Atoms

Vahe Gharakhanyan, Yi Yang, Luis Barroso-Luque +24

Molecular crystal structure prediction (CSP) is essential for applications in pharmaceuticals and organic electronics. However, CSP remains challenging and computationally intensiv…