| 49740 article(s) found. Sorted by publication dates. (Help) | |
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| 安藤康伸, 李文文, 渡邉聡. ニューラルネットワークを用いたアモルファス物質中の原子拡散の研究. 固体物理. [7] (2018) 389-399 | |
| Yasuhide Mochizuki, Yu Kumagai, Hirofumi Akamatsu, Fumiyasu Oba. Polar metallic behavior of strained antiperovskites
ACNi3(A=Mg,Zn,and Cd)
from first principles. Physical Review Materials. 2 [12] (2018) 125004 10.1103/physrevmaterials.2.125004 Open Access | |
| TAKAHASHI, Keisuke. Uncovering Periodicity and Hidden Trends Responsible for Predicting the Magnetic Moment of Body Centered Cubic Crystal. CHEMPHYSCHEM. [13] (2018) 1593-1598 | |
| Yasuharu Okamoto, Yoshimi Kubo. Ab Initio Calculations of the Redox Potentials of Additives for Lithium-Ion Batteries and Their Prediction through Machine Learning. ACS Omega. 3 [7] (2018) 7868-7874 10.1021/acsomega.8b00576 Open Access | |
| Yoyo Hinuma, Takashi Toyao, Takashi Kamachi, Zen Maeno, Satoru Takakusagi, Shinya Furukawa, Ichigaku Takigawa, Ken-ichi Shimizu. Density Functional Theory Calculations of Oxygen Vacancy Formation and Subsequent Molecular Adsorption on Oxide Surfaces. The Journal of Physical Chemistry C. 122 [51] (2018) 29435-29444 10.1021/acs.jpcc.8b11279 | |
| Yuji Ikeda, Fritz Körmann, Isao Tanaka, Jörg Neugebauer. Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles. Entropy. 20 [9] (2018) 655 10.3390/e20090655 Open Access | |
| Yoyo Hinuma, Yu Kumagai, Isao Tanaka, Fumiyasu Oba. Effects of composition, crystal structure, and surface orientation on band alignment of divalent metal oxides: A first-principles study. Physical Review Materials. 2 [12] (2018) 124603 10.1103/physrevmaterials.2.124603 | |
| Naruki Yoshikawa, Kei Terayama, Masato Sumita, Teruki Homma, Kenta Oono, Koji Tsuda. Population-based De Novo Molecule Generation, Using Grammatical Evolution. Chemistry Letters. 47 [11] (2018) 1431-1434 10.1246/cl.180665 | |
| Shin Kiyohara, Tomohiro Miyata, Koji Tsuda, Teruyasu Mizoguchi. Data-driven approach for the prediction and interpretation of core-electron loss spectroscopy. Scientific Reports. 8 [1] (2018) 10.1038/s41598-018-30994-6 Open Access | |
| Tomohiro Yonezu, Tomoyuki Tamura, Ichiro Takeuchi, Masayuki Karasuyama. Knowledge-transfer-based cost-effective search for interface structures: A case study on fcc-Al [110] tilt grain boundary. Physical Review Materials. 2 [11] (2018) 113802 10.1103/physrevmaterials.2.113802 | |
