TSeC: an efficient transition state search tool driven by machine learning potential

Tang, Kun; Zhang, Lei; Meng, Qingwei; Du, Jian; Liu, Qilei

doi:10.1016/b978-0-443-28824-1.50560-3

Computer Aided Chemical Engineering

2024

DOI: 10.1016/b978-0-443-28824-1.50560-3

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TSeC: an efficient transition state search tool driven by machine learning potential

Kun Tang,

Lei Zhang,

Qingwei Meng

et al.

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TSeC: an efficient transition state search tool driven by machine learning potential

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References 6 publications

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