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Theoretical and data-driven approaches to semiconductors and dielectrics: from prediction to experiment.
Oba F, Nagai T, Katsube R, Mochizuki Y, Tsuji M, Deffrennes G, Hanzawa K, Nakano A, Takahashi A, Terayama K, Tamura R, Hiramatsu H, Nose Y, Taniguchi H. Oba F, et al. Among authors: mochizuki y. Sci Technol Adv Mater. 2024 Nov 4;25(1):2423600. doi: 10.1080/14686996.2024.2423600. eCollection 2024. Sci Technol Adv Mater. 2024. PMID: 39687423 Free PMC article. Review.
Geometry Optimization Using the Frozen Domain and Partial Dimer Approaches in the Fragment Molecular Orbital Method: Implementation, Benchmark, and Applications to Protein Ligand-Binding Sites.
Okuwaki K, Watanabe N, Kato K, Watanabe C, Nakayama N, Kato A, Mochizuki Y, Nakano T, Honma T, Fukuzawa K. Okuwaki K, et al. Among authors: mochizuki y. J Chem Inf Model. 2024 Dec 23;64(24):9449-9458. doi: 10.1021/acs.jcim.4c01280. Epub 2024 Dec 2. J Chem Inf Model. 2024. PMID: 39621552
1,238 results