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Fast atomic structure optimization with on-the-fly sparse Gaussian process potentials * File

Hajibabaei, Amir , Umer, Muhammad , Anand, Rohit , Ha, Miran , Kim, Kwang S.

Article Issue Date2022-06 View141
Machine Learning for Accelerating Energy Materials Discovery: Bridging Quantum Accuracy with Computational Efficiency File File

Kim, Kwang S.

Article Issue Date2025-10 View36
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