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Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation.
Kulichenko M, Barros K, Lubbers N, Fedik N, Zhou G, Tretiak S, Nebgen B, Niklasson AMN. Kulichenko M, et al. Among authors: zhou g. J Chem Theory Comput. 2023 Jun 13;19(11):3209-3222. doi: 10.1021/acs.jctc.3c00234. Epub 2023 May 10. J Chem Theory Comput. 2023. PMID: 37163680
Molecular Simulation of MoS2 Exfoliation.
Zhou G, Rajak P, Susarla S, Ajayan PM, Kalia RK, Nakano A, Vashishta P. Zhou G, et al. Sci Rep. 2018 Nov 13;8(1):16761. doi: 10.1038/s41598-018-35008-z. Sci Rep. 2018. PMID: 30425294 Free PMC article.
86 results