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A quantum annealing approach to ionic diffusion in solids.
Sci Rep. 2021 Mar 31;11(1):7261. doi: 10.1038/s41598-021-86274-3.
Sci Rep. 2021.
PMID: 33790312
Free PMC article.
Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo.
Prayogo GI, Shin H, Benali A, Maezono R, Hongo K.
Prayogo GI, et al.
ACS Omega. 2021 Sep 16;6(38):24630-24636. doi: 10.1021/acsomega.1c03318. eCollection 2021 Sep 28.
ACS Omega. 2021.
PMID: 34604645
Free PMC article.
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Shry: Application of Canonical Augmentation to the Atomic Substitution Problem.
Prayogo GI, Tirelli A, Utimula K, Hongo K, Maezono R, Nakano K.
Prayogo GI, et al.
J Chem Inf Model. 2022 Jun 27;62(12):2909-2915. doi: 10.1021/acs.jcim.2c00389. Epub 2022 Jun 9.
J Chem Inf Model. 2022.
PMID: 35678099
Free PMC article.
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A new ab initio modeling scheme for the ion self-diffusion coefficient applied to the ε-Cu3Sn phase of the Cu-Sn alloy.
Ichibha T , Prayogo G , Hongo K , Maezono R .
Ichibha T , et al.
Phys Chem Chem Phys. 2019 Feb 27;21(9):5158-5164. doi: 10.1039/c8cp06271d.
Phys Chem Chem Phys. 2019.
PMID: 30775738
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