Shimojo F - Search Results

1

Phase behavior and atomic dynamics in Rb_xNa_1-x: insights from machine learning interatomic potentials based onab initiomolecular dynamics.

Irie A, Koura A, Shimamura K, Shimojo F. Irie A, et al. Among authors: shimojo f. J Phys Condens Matter. 2024 Nov 21;37(6). doi: 10.1088/1361-648X/ad9071. J Phys Condens Matter. 2024. PMID: 39514972

2

Dynamic asymmetry of self-diffusion in liquid ZnCl2 under pressure: an ab initio molecular-dynamics study.

Koura A, Ohmura S, Shimojo F. Koura A, et al. Among authors: shimojo f. J Chem Phys. 2013 Apr 7;138(13):134504. doi: 10.1063/1.4798376. J Chem Phys. 2013. PMID: 23574241

3

Dissociation dynamics of ethylene molecules on a Ni cluster using ab initio molecular dynamics simulations.

Shimamura K, Shibuta Y, Ohmura S, Arifin R, Shimojo F. Shimamura K, et al. Among authors: shimojo f. J Phys Condens Matter. 2016 Apr 13;28(14):145001. doi: 10.1088/0953-8984/28/14/145001. Epub 2016 Mar 8. J Phys Condens Matter. 2016. PMID: 26953616

4

Intermediate range structure of amorphous Cu₂GeTe₃: ab initio molecular dynamics study.

Koura A, Shimojo F. Koura A, et al. Among authors: shimojo f. J Phys Condens Matter. 2020 Jun 3;32(24):244001. doi: 10.1088/1361-648X/ab7b1b. J Phys Condens Matter. 2020. PMID: 32196481

5

Meteorite Impact-Induced Rapid NH₃ Production on Early Earth: Ab Initio Molecular Dynamics Simulation.

Shimamura K, Shimojo F, Nakano A, Tanaka S. Shimamura K, et al. Among authors: shimojo f. Sci Rep. 2016 Dec 14;6:38953. doi: 10.1038/srep38953. Sci Rep. 2016. PMID: 27966594 Free PMC article.

6

Rotation mechanism of methylammonium molecules in organometal halide perovskite in cubic phase: An ab initio molecular dynamics study.

Shimamura K, Hakamata T, Shimojo F, Kalia RK, Nakano A, Vashishta P. Shimamura K, et al. Among authors: shimojo f. J Chem Phys. 2016 Dec 14;145(22):224503. doi: 10.1063/1.4971791. J Chem Phys. 2016. PMID: 27984900

7

Ab initio molecular dynamics study of prebiotic production processes of organic compounds at meteorite impacts on ocean.

Shimamura K, Shimojo F, Nakano A, Tanaka S. Shimamura K, et al. Among authors: shimojo f. J Comput Chem. 2019 Jan 15;40(2):349-359. doi: 10.1002/jcc.25606. Epub 2018 Oct 11. J Comput Chem. 2019. PMID: 30306615

8

Guidelines for creating artificial neural network empirical interatomic potential from first-principles molecular dynamics data under specific conditions and its application to α-Ag₂Se.

Shimamura K, Fukushima S, Koura A, Shimojo F, Misawa M, Kalia RK, Nakano A, Vashishta P, Matsubara T, Tanaka S. Shimamura K, et al. Among authors: shimojo f. J Chem Phys. 2019 Sep 28;151(12):124303. doi: 10.1063/1.5116420. J Chem Phys. 2019. PMID: 31575208

9

Computational and training requirements for interatomic potential based on artificial neural network for estimating low thermal conductivity of silver chalcogenides.

Shimamura K, Takeshita Y, Fukushima S, Koura A, Shimojo F. Shimamura K, et al. Among authors: shimojo f. J Chem Phys. 2020 Dec 21;153(23):234301. doi: 10.1063/5.0027058. J Chem Phys. 2020. PMID: 33353316

10

Application of First-Principles-Based Artificial Neural Network Potentials to Multiscale-Shock Dynamics Simulations on Solid Materials.

Misawa M, Fukushima S, Koura A, Shimamura K, Shimojo F, Tiwari S, Nomura KI, Kalia RK, Nakano A, Vashishta P. Misawa M, et al. Among authors: shimojo f. J Phys Chem Lett. 2020 Jun 4;11(11):4536-4541. doi: 10.1021/acs.jpclett.0c00637. Epub 2020 May 28. J Phys Chem Lett. 2020. PMID: 32443935 Free article.

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