Identifier | G:(DE-H253)I-20170739-EC |
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Benchmarking CHGNet Universal Machine Learning Interatomic Potential against DFT and EXAFS: The Case of Layered WS$_2$ and MoS$_2$
Journal of chemical theory and computation 21(16), 8142 - 8150 (2025) [10.1021/acs.jctc.5c00955]
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Unraveling the interlayer and intralayer coupling in two-dimensional layered MoS 2 by X-ray absorption spectroscopy and ab initio molecular dynamics simulations
Materials today / Communications 35, 106359 (2023) [10.1016/j.mtcomm.2023.106359]
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