Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors

por Nakano, Kousuke, Hongo, Kenta, Maezono, Ryo
Publicado 2016

Bandgap reduction of photocatalytic TiO(2) nanotube by Cu doping

por Gharaei, S. Khajoei, Abbasnejad, M., Maezono, Ryo
Publicado 2018

Synergy of Binary Substitutions for Improving the Cycle Performance in LiNiO(2) Revealed by Ab Initio Materials Informatics

por Yoshida, Tomohiro, Maezono, Ryo, Hongo, Kenta
Publicado 2020

New Insight into the Ground State of FePc: A Diffusion Monte Carlo Study

por Ichibha, Tom, Hou, Zhufeng, Hongo, Kenta, Maezono, Ryo
Publicado 2017

Ab Initio Evaluation of Complexation Energies for Cyclodextrin-Drug Inclusion Complexes

por Oqmhula, Kenji, Hongo, Kenta, Maezono, Ryo, Ichibha, Tom
Publicado 2020

First-Principles-Based Insight into Electrochemical Reactivity in a Cobalt-Carbonate-Hydroxide Pseudocapacitor

por Oqmhula, Kenji, Toma, Takahiro, Maezono, Ryo, Hongo, Kenta
Publicado 2023

Toward Chemical Accuracy Using the Jastrow Correlated Antisymmetrized Geminal Power Ansatz

por Raghav, Abhishek, Maezono, Ryo, Hongo, Kenta, Sorella, Sandro, Nakano, Kousuke
Publicado 2023

Stiffer Bonding of Armchair Edge in Single‐Layer Molybdenum Disulfide Nanoribbons

por Liu, Chunmeng, Hongo, Kenta, Maezono, Ryo, Zhang, Jiaqi, Oshima, Yoshifumi
Publicado 2023

Bayesian molecular design with a chemical language model

por Ikebata, Hisaki, Hongo, Kenta, Isomura, Tetsu, Maezono, Ryo, Yoshida, Ryo
Publicado 2017

Computational Design to Suppress Thermal Runaway of Li-Ion Batteries via Atomic Substitutions to Cathode Materials

por Yoshimoto, Yuki, Toma, Takahiro, Hongo, Kenta, Nakano, Kousuke, Maezono, Ryo
Publicado 2022

Importance of Van der Waals Interactions in Hydrogen Adsorption on a Silicon-carbide Nanotube Revisited with vdW-DFT and Quantum Monte Carlo

por Prayogo, Genki I., Shin, Hyeondeok, Benali, Anouar, Maezono, Ryo, Hongo, Kenta
Publicado 2021

Host-Guest Interactions of Plumbagin with β-Cyclodextrin, Dimethyl-β-Cyclodextrin and Hydroxypropyl-β-Cyclodextrin: Semi-Empirical Quantum Mechanical PM6 and PM7 Methods

por Srihakulung, Ornin, Maezono, Ryo, Toochinda, Pisanu, Kongprawechnon, Waree, Intarapanich, Apichart, Lawtrakul, Luckhana
Publicado 2018

Insights into the Mechanical and Electrical Properties of a Metal–Phosphorene Interface: An Ab Initio Study with a Wide Range of Metals

por Ghaffar, Abdul, Ganeriwala, Mohit D., Hongo, Kenta, Maezono, Ryo, Mohapatra, Nihar R.
Publicado 2021

A quantum annealing approach to ionic diffusion in solids

por Utimula, Keishu, Ichibha, Tom, Prayogo, Genki I., Hongo, Kenta, Nakano, Kousuke, Maezono, Ryo
Publicado 2021

Shry: Application of Canonical Augmentation to the Atomic Substitution Problem

por Prayogo, Genki Imam, Tirelli, Andrea, Utimula, Keishu, Hongo, Kenta, Maezono, Ryo, Nakano, Kousuke
Publicado 2022

Stepwise copolymerization of polybenzimidazole for a low dielectric constant and ultrahigh heat resistance

por Zhong, Xianzhu, Nag, Aniruddha, Zhou, Jiabei, Takada, Kenji, Amat Yusof, Fitri Adila, Mitsumata, Tetsu, Oqmhula, Kenji, Hongo, Kenta, Maezono, Ryo, Kaneko, Tatsuo
Publicado 2022

Lattice Dynamics in the NASICON NaZr(2)(PO(4))(3) Solid Electrolyte from Temperature-Dependent Neutron Diffraction, NMR, and Ab Initio Computational Studies

por Morgan, Emily E., Evans, Hayden A., Pilar, Kartik, Brown, Craig M., Clément, Raphaële J., Maezono, Ryo, Seshadri, Ram, Monserrat, Bartomeu, Cheetham, Anthony K.
Publicado 2022

Undoped Layered Perovskite Oxynitride Li(2)LaTa(2)O(6)N for Photocatalytic CO(2) Reduction with Visible Light

por Oshima, Takayoshi, Ichibha, Tom, Qin, Ken Sinkou, Muraoka, Kanemichi, Vequizo, Junie Jhon M., Hibino, Keisuke, Kuriki, Ryo, Yamashita, Shunsuke, Hongo, Kenta, Uchiyama, Tomoki, Fujii, Kotaro, Lu, Daling, Maezono, Ryo, Yamakata, Akira, Kato, Hideki, Kimoto, Koji, Yashima, Masatomo, Uchimoto, Yoshiharu, Kakihana, Masato, Ishitani, Osamu, Kageyama, Hiroshi, Maeda, Kazuhiko
Publicado 2018