Ishii Y - Search Results

1

Transport Properties of Ionic Liquid and Sodium Salt Mixtures for Sodium-Ion Battery Electrolytes from Molecular Dynamics Simulation with a Self-Consistent Atomic Charge Determination.

Hakim L, Ishii Y, Matsumoto K, Hagiwara R, Ohara K, Umebayashi Y, Matubayasi N. Hakim L, et al. Among authors: ishii y. J Phys Chem B. 2020 Aug 20;124(33):7291-7305. doi: 10.1021/acs.jpcb.0c04078. Epub 2020 Aug 6. J Phys Chem B. 2020. PMID: 32786718

2

Thermal conductivity of molten alkali metal fluorides (LiF, NaF, KF) and their mixtures.

Ishii Y, Sato K, Salanne M, Madden PA, Ohtori N. Ishii Y, et al. J Phys Chem B. 2014 Mar 27;118(12):3385-91. doi: 10.1021/jp411781n. Epub 2014 Mar 17. J Phys Chem B. 2014. PMID: 24635749

3

Spatially-Decomposed Free Energy of Solvation Based on the Endpoint Density-Functional Method.

Ishii Y, Yamamoto N, Matubayasi N, Zhang BW, Cui D, Levy RM. Ishii Y, et al. J Chem Theory Comput. 2019 May 14;15(5):2896-2912. doi: 10.1021/acs.jctc.8b01309. Epub 2019 Apr 16. J Chem Theory Comput. 2019. PMID: 30990682 Free PMC article.

4

Bridging the gap between molecular dynamics and hydrodynamics in nanoscale Brownian motions.

Mizuta K , Ishii Y , Kim K , Matubayasi N . Mizuta K , et al. Among authors: ishii y. Soft Matter. 2019 May 29;15(21):4380-4390. doi: 10.1039/c9sm00246d. Soft Matter. 2019. PMID: 31086871

5

Elucidating Ionic Correlations Beyond Simple Charge Alternation in Molten MgCl₂-KCl Mixtures.

Wu F, Roy S, Ivanov AS, Gill SK, Topsakal M, Dooryhee E, Abeykoon M, Kwon G, Gallington LC, Halstenberg P, Layne B, Ishii Y, Mahurin SM, Dai S, Bryantsev VS, Margulis CJ. Wu F, et al. Among authors: ishii y. J Phys Chem Lett. 2019 Dec 19;10(24):7603-7610. doi: 10.1021/acs.jpclett.9b02845. Epub 2019 Nov 26. J Phys Chem Lett. 2019. PMID: 31738562

6

Self-Consistent Scheme Combining MD and Order-N DFT Methods: An Improved Set of Nonpolarizable Force Fields for Ionic Liquids.

Ishii Y, Matubayasi N. Ishii Y, et al. J Chem Theory Comput. 2020 Jan 14;16(1):651-665. doi: 10.1021/acs.jctc.9b00793. Epub 2019 Dec 24. J Chem Theory Comput. 2020. PMID: 31873016

7

Spatial-Decomposition Analysis of Electrical Conductivity in Mixtures of Ionic Liquid and Sodium Salt for Sodium-Ion Battery Electrolytes.

Hakim L, Ishii Y, Matubayasi N. Hakim L, et al. Among authors: ishii y. J Phys Chem B. 2021 Apr 8;125(13):3374-3385. doi: 10.1021/acs.jpcb.1c00372. Epub 2021 Mar 24. J Phys Chem B. 2021. PMID: 33759521

8

Molecular insights on confined water in the nanochannels of self-assembled ionic liquid crystal.

Ishii Y, Matubayasi N, Watanabe G, Kato T, Washizu H. Ishii Y, et al. Sci Adv. 2021 Jul 28;7(31):eabf0669. doi: 10.1126/sciadv.abf0669. Print 2021 Jul. Sci Adv. 2021. PMID: 34321196 Free PMC article.

9

Simulating the nematic-isotropic phase transition of liquid crystal model via generalized replica-exchange method.

Takemoto K, Ishii Y, Washizu H, Kim K, Matubayasi N. Takemoto K, et al. Among authors: ishii y. J Chem Phys. 2022 Jan 7;156(1):014901. doi: 10.1063/5.0073105. J Chem Phys. 2022. PMID: 34998348

10

Nonpolarizable Force Fields through the Self-Consistent Modeling Scheme with MD and DFT Methods: From Ionic Liquids to Self-Assembled Ionic Liquid Crystals.

Ishii Y, Matubayasi N, Washizu H. Ishii Y, et al. J Phys Chem B. 2022 Jun 23;126(24):4611-4622. doi: 10.1021/acs.jpcb.2c02782. Epub 2022 Jun 13. J Phys Chem B. 2022. PMID: 35698025

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