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論文 TSV

2019
  1. TAKAHASHI, Keisuke, Lauren Takahashi. Creating Machine Learning-Driven Material Recipes Based on Crystal Structure. Journal of Physical Chemistry Letters. 10 [2] (2019) 283-288
  2. Keisuke Takahashi, Lauren Takahashi. Creating Machine Learning-Driven Material Recipes Based on Crystal Structure. The Journal of Physical Chemistry Letters. 10 [2] (2019) 283-288 10.1021/acs.jpclett.8b03527
2018
  1. Duong-Nguyen Nguyen, Tien-Lam Pham, Viet-Cuong Nguyen, Tuan-Dung Ho, Truyen Tran, Keisuke Takahashi, Hieu-Chi Dam. Committee machine that votes for similarity between materials. IUCrJ. 5 [6] (2018) 830-840 10.1107/s2052252518013519
  2. Farheen Khurshid, M. Jeyavelan, Keisuke Takahashi, M. Sterlin Leo Hudson, S. Nagarajan. Aryl fluoride functionalized graphene oxides for excellent room temperature ammonia sensitivity/selectivity. RSC Advances. 8 [36] (2018) 20440-20449 10.1039/c8ra01818a
  3. TAKAHASHI, Keisuke. Uncovering Periodicity and Hidden Trends Responsible for Predicting the Magnetic Moment of Body Centered Cubic Crystal. CHEMPHYSCHEM. [13] (2018) 1593-1598
  4. Keisuke Takahashi, Itsuki Miyazato. Rapid estimation of activation energy in heterogeneous catalytic reactions via machine learning. Journal of Computational Chemistry. 39 [28] (2018) 2405-2408 10.1002/jcc.25567
  5. Lauren Takahashi, Itsuki Miyazato, Keisuke Takahashi. Redesigning the Materials and Catalysts Database Construction Process Using Ontologies. Journal of Chemical Information and Modeling. 58 [9] (2018) 1742-1754 10.1021/acs.jcim.8b00165
  6. Lauren Takahashi, Tessui Nakagawa, Keisuke Takahashi. Electronic structure of octagonal boron nitride nanotubes. International Journal of Quantum Chemistry. 118 [11] (2018) e25542 10.1002/qua.25542
  7. Keisuke Takahashi, Lauren Takahashi, Itsuki Miyazato, Yuzuru Tanaka. Searching for Hidden Perovskite Materials for Photovoltaic Systems by Combining Data Science and First Principle Calculations. ACS Photonics. 5 [3] (2018) 771-775 10.1021/acsphotonics.7b01479
  8. Itsuki Miyazato, Yuzuru Tanaka, Keisuke Takahashi. Accelerating the discovery of hidden two-dimensional magnets using machine learning and first principle calculations. Journal of Physics: Condensed Matter. 30 [6] (2018) 06LT01
  9. Keisuke Takahashi. Designing a tunable magnet using cluster-assembled iron. Journal of Applied Physics. 123 [1] (2018) 015102 10.1063/1.5010963
  10. Itsuki Miyazato, Keisuke Takahashi. Revealing the multi hydrogen bonding state within iron doped amorphous carbon. Chemical Physics Letters. 691 (2018) 122-125 10.1016/j.cplett.2017.10.063
2017
  1. Itsuki Miyazato, Keisuke Takahashi. Electronic structure of boron based single and multi-layer two dimensional materials. Journal of Applied Physics. 122 [10] (2017) 104302 10.1063/1.4991033
  2. Jakub D. Baran, Christopher Eames, Keisuke Takahashi, Marco Molinari, M. Saiful Islam, Stephen C. Parker. Structural, Electronic, and Transport Properties of Hybrid SrTiO3-Graphene and Carbon Nanoribbon Interfaces. Chemistry of Materials. 29 [17] (2017) 7364-7370 10.1021/acs.chemmater.7b02253
  3. Keisuke Takahashi, Lauren Takahashi, Jakub D. Baran, Yuzuru Tanaka. Descriptors for predicting the lattice constant of body centered cubic crystal. The Journal of Chemical Physics. 146 [20] (2017) 204104 10.1063/1.4984047
  4. Lauren Takahashi, Keisuke Takahashi. Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride. Dalton Transactions. 46 [13] (2017) 4259-4264 10.1039/c7dt00372b
  5. Keisuke Takahashi, Yuzuru Tanaka. Unveiling descriptors for predicting the bulk modulus of amorphous carbon. Physical Review B. 95 [5] (2017) 10.1103/physrevb.95.054110
  6. Alvaro Muñoz-Castro, Keisuke Takahashi. Toward Two-Dimensional Superatomic Honeycomb Structures. Evaluation of [Ge9(Si(SiMe3))3]− as Source of Ge9–Cluster Building Blocks for Extended Materials. The Journal of Physical Chemistry C. 121 [3] (2017) 1934-1940 10.1021/acs.jpcc.6b10251
  7. Keisuke Takahashi, Yuzuru Tanaka. Role of descriptors in predicting the dissolution energy of embedded oxides and the bulk modulus of oxide-embedded iron. Physical Review B. 95 [1] (2017) 10.1103/physrevb.95.014101
  8. Lauren Takahashi, Keisuke Takahashi. Designing Mg7 cluster-assembled two dimensional crystal. FlatChem. 1 (2017) 57-59 10.1016/j.flatc.2016.11.002
2016
  1. Lauren Takahashi, Keisuke Takahashi. Reactivity of Two-Dimensional Au9, Pt9, and Au18Pt18 against Common Molecules. Inorganic Chemistry. 55 [18] (2016) 9410-9416 10.1021/acs.inorgchem.6b01635
  2. Tengfei Zhang, Shigehito Isobe, Yongming Wang, Chaomei Liu, Naoyuki Hashimoto, Keisuke Takahashi. Enhanced hydrogen desorption properties of LiAlH4 by doping lithium metatitanate. Physical Chemistry Chemical Physics. 18 [39] (2016) 27623-27629 10.1039/c6cp05014j
  3. Keisuke Takahashi, Yuki Nakagawa, Lauren Takahashi, Shigehito Isobe. Prediction of the dopant activity of chemical compounds against ammonia borane with key descriptors: electronegativity and crystal structures. New Journal of Chemistry. 40 [9] (2016) 7303-7306 10.1039/c6nj01793b

書籍 TSV

会議録 TSV

口頭発表 TSV

2016
  1. TAKAHASHI, Keisuke. The rise of materials informatics. CREST「ビッグデータ応用」若手研究者合宿. 2016
  2. Yuki Nakagawa, TAKAHASHI, Keisuke, Lauren Takahashi, Shigehito Isobe. 機械学習によるアンモニアボラン‐金属複合物質の水素放出温度の予測. 水素若手研究会. 2016
  3. TAKAHASHI, Keisuke. Progress and Challenges in Materials and Catalysis Informatics. 触媒開発への応用を目指したインフォマティックス研究会. 2016

その他の文献 TSV

特許 TSV

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