Dataset for CH GAP interatomic potential
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This is a dataset used to train general-purpose CH GAP interatomic potential [1]. The database contains the following entries: Dimers of carbon and hydrogen Trimers "Soup" structures generated during iterative training QM9[6] molecules augmented to C and H containing molecules only Interactive molecules generated using active learning a-C dataset from [2] Bulk and surface carbon structures CH structures geneated using high pressure
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Zenodo创建时间：
2024-09-11
