Ohno K - Search Results

1

Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule.

Manjanath A, Sahara R, Kawazoe Y, Ohno K. Manjanath A, et al. Among authors: ohno k. Nanomaterials (Basel). 2024 Nov 5;14(22):1775. doi: 10.3390/nano14221775. Nanomaterials (Basel). 2024. PMID: 39591016 Free PMC article.

2

Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans' theorem: An accurate description of methane photolysis.

Manjanath A, Sahara R, Ohno K, Kawazoe Y. Manjanath A, et al. Among authors: ohno k. J Chem Phys. 2024 May 14;160(18):184102. doi: 10.1063/5.0202590. J Chem Phys. 2024. PMID: 38716844

3

Creation of Mo/Tc@C₆₀ and Au@C₆₀ and molecular-dynamics simulations.

Ohtsuki T, Manjanath A, Ohno K, Inagaki M, Sekimoto S, Kawazoe Y. Ohtsuki T, et al. Among authors: ohno k. RSC Adv. 2021 Jun 1;11(32):19666-19672. doi: 10.1039/d0ra10196f. eCollection 2021 May 27. RSC Adv. 2021. PMID: 35479210 Free PMC article.

4

Extensive first-principles molecular dynamics study on Li encapsulation into C₆₀ and its experimental confirmation.

Ohno K, Manjanath A, Kawazoe Y, Hatakeyama R, Misaizu F, Kwon E, Fukumura H, Ogasawara H, Yamada Y, Zhang C, Sumi N, Kamigaki T, Kawachi K, Yokoo K, Ono S, Kasama Y. Ohno K, et al. Nanoscale. 2018 Jan 25;10(4):1825-1836. doi: 10.1039/c7nr07237f. Nanoscale. 2018. PMID: 29308793

5

A first-principles phase field method for quantitatively predicting multi-composition phase separation without thermodynamic empirical parameter.

Bhattacharyya S, Sahara R, Ohno K. Bhattacharyya S, et al. Among authors: ohno k. Nat Commun. 2019 Aug 1;10(1):3451. doi: 10.1038/s41467-019-11248-z. Nat Commun. 2019. PMID: 31371706 Free PMC article.

6

Thermodynamic properties of the Cu-Au system using a face-centered-cubic lattice model with a renormalized potential.

Sahara R, Ichikawa H, Mizuseki H, Ohno K, Kubo H, Kawazoe Y. Sahara R, et al. Among authors: ohno k. J Chem Phys. 2004 May 15;120(19):9297-301. doi: 10.1063/1.1704633. J Chem Phys. 2004. PMID: 15267866

7

A lattice Monte Carlo simulation of the FePt alloy using a first-principles renormalized four-body interaction.

Misumi Y, Masatsuji S, Sahara R, Ishii S, Ohno K. Misumi Y, et al. Among authors: ohno k. J Chem Phys. 2008 Jun 21;128(23):234702. doi: 10.1063/1.2938181. J Chem Phys. 2008. PMID: 18570514

8

Clear evidence for element partitioning effects in a Ti-6Al-4V alloy by the first-principles phase field method.

Pham TN, Ohno K, Sahara R, Kuwahara R, Bhattacharyya S. Pham TN, et al. Among authors: ohno k. J Phys Condens Matter. 2020 Jun 17;32(26):264001. doi: 10.1088/1361-648X/ab7ad5. J Phys Condens Matter. 2020. PMID: 32106095

9

All-proportional solid solution versus two-phase coexistence in the Ti-V alloy by first-principles phase field and SQS methods.

Ohno K, Kuwahara R, Pham TN, Bhattacharyya S, Sahara R. Ohno K, et al. Sci Rep. 2022 Jun 16;12(1):10070. doi: 10.1038/s41598-022-13906-7. Sci Rep. 2022. PMID: 35710918 Free PMC article.

10

Monte Carlo calculation of second and third virial coefficients of small-scale comb polymers on lattice.

Shida K, Kasuya A, Ohno K, Kawazoe Y, Nakamura Y. Shida K, et al. Among authors: ohno k. J Chem Phys. 2007 Apr 21;126(15):154901. doi: 10.1063/1.2720380. J Chem Phys. 2007. PMID: 17461661

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