Keisuke Takahashi

Keisuke Takahashi
Associate Professor
Department of Chemistry, Hokkaido University
Hokkaido University

Special Researcher
National Institute for Materials Science

Visiting Associate Professor
Institute for Catalysis, Hokkaido University

Research Interests

Materials Informatics. Catalysts Informatics, Computational Material Science, Data Science

Education

Professional Experience

Publication

  1. Lauren Takahashi, Thanh Nhat Nguyen, Sunao Nakanowatari, Aya Fujiwara, Toshiaki Taniike, Keisuke Takahashi
    “Constructing catalyst knowledge networks from catalyst big data in oxidative coupling of methane for designing catalysts "
    Chemical Science (2021) 10.1039/D1SC04390K
  2. Keisuke Takahashi, Jun Fujima, Itsuki Miyazato, Sunao Nakanowatari, Aya Fujiwara, Thanh Nhat Nguyen, Toshiaki Taniike, Lauren Takahashi
    “Catalysis Gene Expression Profiling: Sequencing and Designing Catalysts "
    The Journal of Physical Chemistry Letters (2021) 12,30, 7335-7341
  3. Xucheng Zhang, Yanran Li, Yiting Feng, Jia Guo, Keisuke Takahashi, Changchun Wang
    “Quick approach for optimization of monodisperse microsphere synthesis with a knowledge sharing strategy powered by machine learning "
    Chemical Physics Letters (2021) (Accepted)
  4. Airi Hirayama, Yuka Tsuchimura, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Kazuo Kato , Keisuke Takahashi, Junya Ohyama
    “Catalytic Oxidation of Methane to Methanol over Cu-CHA with Molecular Oxygen "
    Catalysis Science & Technology (2021) (Accepted)
  5. Sunao Nakanowatari, Thanh Nhat Nguyen, Hiroki Chikuma, Aya Fujiwara, Kalaivani Seenivasan, Ashutosh Thakur, Lauren Takahashi, Keisuke Takahashi, Toshiaki Taniike
    “Extraction of Catalyst Design Heuristics from Random Catalyst Dataset and their Utilization in Catalyst Development for Oxidative Coupling of Methane "
    ChemCatChem (2021) 21, 3262-3269
  6. Junya Ohyama, Airi Hirayama, Yuka Tsuchimura, Nahoko Kondou, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Kazuo Kato, Itsuki Miyazato , Keisuke Takahashi
    “Catalytic direct oxidation of methane to methanol by redox of copper mordenite "
    Catalysis Science & Technology (2021) (Accepted)
  7. Thanh Nhat Nguyen, Sunao Nakanowatari, Thuy Phuong Nhat Tran, Ashutosh Thakur, Lauren Takahashi, Keisuke Takahashi, Toshiaki Taniike
    “Learning Catalyst Design Based on Bias-Free Data Set for Oxidative Coupling of Methane "
    ACS Catalysis (2021) 1797–1809
  8. Junya Ohyama, Airi Hirayama, Nahoko Kondou, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Kenji Hirai, Itsuki Miyazato, Keisuke Takahashi
    “Data science assisted investigation of catalytically active copper hydrate in zeolites for direct oxidation of methane to methanol using H2O2 "
    Scientific Reports (2021) 11, 2067
  9. Itsuki Miyazato, Thanh Nhat Nguyen, Lauren Takahashi, Toshiaki Taniike, Keisuke Takahashi
    “Representing Catalytic and Processing Space in Methane Oxidation Reaction via Multioutput Machine Learning "
    The Journal of Physical Chemistry Letters (2021) 12, 2, 808–814
  10. Lauren Takahashi,Junya Ohyama, Shun NIshimura, Keisuke Takahashi
    “Representing the Methane Oxidation Reaction via Linking First-Principles Calculations and Experiment with Graph Theory "
    The Journal of Physical Chemistry Letters (2021) 12, 1, 558–568
  11. Kanami Sugiyama, Thanh Nhat Nguyen, Sunao Nakanowatari, Itsuki Miyazato, Toshiaki Taniike,Keisuke Takahashi
    “Direct Design of Catalysts in Oxidative Coupling of Methane via High‐Throughput Experiment and Deep Learning "
    ChemCatChem (2020) 13 (3), 952-957
  12. Junya Ohyama, Takaaki Kinoshita, Eri Funada, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Takeaki Uno, Jun Fujima, Itsuki Miyazato, Lauren Takahashi , Keisuke Takahashi
    “Direct Design of Active Catalysts for Low Temperature Oxidative Coupling of Methane via Machine Learning and Data Mining "
    Catalysis Science & Technology (2020) (Accepted)
  13. Shun Nishimura, Junya Ohyama, Takaaki Kinoshita,Son Dinh Le, Keisuke Takahashi
    “Revisiting Machine Learning Predictions for Oxidative Coupling of Methane (OCM) based on Literature Data "
    ChemCatChem (2020) 12 (23), 5888-5892
  14. Keisuke Takahashi,Lauren Takahashi, Thanh Nhat Nguyen, Ashutosh Thakur, Toshiaki Taniike
    “Multi-Dimensional Classification of Catalysts in Oxidative Coupling of Methane through Machine Learning and High-Throughput Data "
    The Journal of Physical Chemistry Letters (2020) 11, 16, 6819–6826
  15. Itsuki Miyazato, Tanveer Hussain, Keisuke Takahashi
    “Transition of wide-band gap semiconductor h-BN(BN)/P heterostructure via single-atom-embedding† "
    Journal of Materials Chemistry C (2020) 8, 9755-9762
  16. Jun Fujima, Yuzuru Tanaka, Itsuki Miyazato, Lauren Takahashi, Jun Fujima, Keisuke Takahashi
    “Catalyst Acquisition by Data Science (CADS): a web-based catalyst informatics platform for discovering catalysts "
    Reaction Chemistry and Engineering (2020) 5 (5), 903-911
  17. Itsuki Miyazato, Shun Nishimura, Lauren Takahashi, Junya Ohyama, Keisuke Takahashi
    “Data-Driven Identification of the Reaction Network in Oxidative Coupling of the Methane Reaction via Experimental Data "
    The Journal of Physical Chemistry Letters (2020) 11, 787-795
  18. Vinit Kumar,Punit Kumar,Subhasis Pati,Pratibha Sharma, Keisuke Takahashi
    “Tuning the hydrogen storage properties of TiFe clusters via Zr substitution "
    Energy Storage (2020) e157
  19. Keisuke Takahashi
    “First-Principles Design of Cu12shellFecore Core–Shell Clusters Assembled with K3O into Hexameric Rings: Implications for Gas-Storage Materials "
    ACS Applied Nano Materials (2020)
  20. Thanh Nhat Nguyen, Thuy Tran Phuong Nhat, Ken Takimoto, Ashutosh Thakur, Shun Nishimura, Junya Ohyama, Itsuki Miyazato, Lauren TakahashiJ, Jun Fujima, Keisuke Takahashi Toshiaki Taniike
    “High-Throughput Experimentation and Catalyst Informatics for Oxidative Coupling of Methane "
    ACS Catalysis (2020) 10, 921-932
  21. Rafael Monteiro, Itsuki Miyazato, Keisuke Takahashi
    “Rising Sun Envelope Method: An Automatic and Accurate Peak Location Technique for XANES Measurements "
    The Journal of Physical Chemistry A (2020) 124, 9, 1754-1762
  22. Lauren Takahashi, Keisuke Takahashi
    “Visualizing Scientists' Cognitive Representation of Materials Data through the Application of Ontology "
    The Journal of Physical Chemistry Letters (2019) 10, 23, 7482-7491
  23. Itsuki Miyazato, Sevil Sarikurt,Keisuke Takahashi, Fatih Ersan
    “Controlling electronic structure of single-layered (X=S, Se) trichalcogenides through systematic Zr doping "
    Journal of Materials Science (2019) 55 (2), 660-669
  24. Keisuke Takahashi, Lauren Takahashi
    “Data Driven Determination in Growth of Silver from Clusters to Nanoparticles and Bulk "
    The Journal of Physical Chemistry Letters (2019) 10 (14), 4063-4068
  25. Junya Ohyama, Shun Nishimura, Keisuke Takahashi
    “Data Driven Determination of Reaction Conditions in Oxidative Coupling of Methane via Machine Learning"
    ChemCatChem (2019) 11 (17), 4307-4313
  26. Itsuki Miyazato, Lauren Takahashi, Keisuke Takahashi
    “Automatic oxidation threshold recognition of XAFS data using supervised machine learning "
    Molecular Systems Design & Engineering (2019) 4, 1014-1018
  27. Keisuke Takahashi, Lauren Takahashi
    “Creating Machine Learning-Driven Material Recipes Based on Crystal Structure "
    The Journal of Physical Chemistry Letters (2019) 10 (2), pp283–288
  28. Keisuke Takahashi, Lauren Takahashi
    “Functionalized single atom embedded bilayer graphene and hexagonal boron nitride"
    ACS Applied Electronic Materials (2019) 1, 1, 2-6
  29. Keisuke Takahashi, Lauren Takahashi, Itsuki Miyazato, Jun Fujima, Yuzuru Tanaka, Takeaki Uno, Hiroko Satoh, Koichi Ohno, Mayumi Nishida, Kenji Hirai, Junya Ohyama, Thanh Nhat Nguyen, Shun Nishimura, Toshiaki Taniike
    “The Rise of Catalyst Informatics: Towards Catalyst Genomics "
    ChemCatChem (2019) 11, 1146 - 1152
  30. 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 (2018) 5, 6, 830-840
  31. Keisuke Takahashi, Itsuki Miyazato
    “Rapid estimation of activation energy in heterogeneous catalytic reactions via machine learning"
    Journal of Computational Chemistry (2018) 39 (28), 2405-2408
  32. Lauren Takahashi, Itsuki Miyazato, Keisuke Takahashi
    “Redesigning the Materials and Catalysts Database Construction Process Using Ontologies"
    Journal of Chemical Information and Modeling (2018) 58, 9, 1742-1754
  33. Keisuke Takahashi, Itsuki Miyazato, Shun Nishimura, Junya Ohyama
    “Unveiling hidden catalysts for the oxidative coupling of methane based on combining machine learning and literature data"
    ChemCatChem (2018) 10, 15, 3223-3228
  34. Farheen Khurshid, M Jeyavelan, Keisuke Takahashi, M. Sterlin Leo Hudson, Samuthira Nagarajan,
    “Aryl fluoride functionalized graphene oxides for excellent room temperature ammonia sensitivity/selectivity"
    RSC Advances 8 (36), (2018), 20440-20449
  35. Keisuke Takahashi,
    “Uncovering hidden trend and periodicity for predicting the magnetic moment in body centered cubic crystal"
    ChemPhysChem 19, 13, (2018), 1593-1598
  36. 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 (2018) 5 (3), 771–775
  37. Lauren Takahashi, Keisuke Takahashi
    “Geometric and electronic structure of AlP nanotube with octagonal lattice configuration"
    ACS Applied Nano Materials (2018), 1 (2), 501–504
  38. 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 (2018) 30, 6
  39. Keisuke Takahashi
    “Designing a tunable magnet using cluster-assembled iron"
    Journal of Applied Physics (2018) 123, (1), 015102
  40. Lauren Takahashi, Tessui Nakagawa, Keisuke Takahashi
    “Electronic structure of octagonal boron nitride nanotubes"
    International Journal of Quantum Chemistry (2018) e25542
  41. Itsuki Miyazato, Keisuke Takahashi
    “Revealing the multi hydrogen bonding state within iron doped amorphous carbon"
    Chemical Physics Letters (2018)691,122-125
  42. 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 (2017) 29 (17), 7364-7370
  43. Itsuki Miyazato, Keisuke Takahashi
    “Electronic structure of boron based single and multi-layer two dimensional materials"
    Journal of Applied Physics (2017) 122 (10), 104302
  44. Lauren Takahashi, Keisuke Takahashi
    “Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride"
    Dalton Transaction (2017) 46 (13), 4259-4264
  45. 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 (2017) 146 (20), 204104
  46. Lauren Takahashi, Keisuke Takahashi
    “Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride"
    Dalton Transactions46 13 (2017) , 4259-4264
  47. Keisuke Takahashi, Yuzuru Tanaka
    “Unveiling descriptors for predicting the bulk modulus of amorphous carbon"
    Physical Review B (2017) 95 (5), 054110
  48. Alvaro Munoz, Keisuke Takahashi
    “Towards Two-Dimensional Ge9-Cluster Based Materials. Computational Evaluation of [Ge9(Si(SiMe3))3]- Aggregates"
    The Journal of Physical Chemistry C121 3 (2017) 1934-1940
  49. Keisuke Takahashi, Yuzuru Tanaka
    “Role of descriptors in predicting the dissolution energy of embedded oxides andthe bulk modulus ofoxide-embedded iron"
    Physical Review B (2016)95 (1), 014101
  50. Lauren Takahashi, Keisuke Takahashi
    “Designing Mg7cluster-assembled two dimensional crystal"
    Flat Chem (2016) 1, 57-59
  51. Tengfei Zhange, Shigehito Isobe, Yongming Wang, Chaomei Liu, Naoyuki Hashimoto,Keisuke Takahashi
    “Enhanced hydrogen desorption properties of LiAlH4 by doping lithium metatitanate"
    Physical Chemistry Chemical Physics (2016) 18, 27623-27629
  52. Lauren Takahashi, Keisuke Takahashi
    “Reactivity of two dimensional Au9, Pt9, and Au18Pt18against common gas molecules”
    Inorganic Chemistry (2016) 55 (18), 9410-9416
  53. Keisuke Takahashi, Yuki Nakagawa, Lauren Takahashi, Shigehito Isobe
    Prediction of catalytic activities of ammonia borane by dual descriptors: electronegativity and crystalstructure"
    New Journal of Chemistry (2016),40 (9), 7303-7306
  54. Keisuke Takahashi, Yuzuru Tanaka
    “Material Informatics: Journey towards Material Design and Synthesis”
    Dalton Transactions (Perspectives) (2016) 45, 10497-10499
  55. Keisuke Takahashi, Shigehito Isobe, Kengo Omori,Torge Masho, Domenica Convertino, VaidotasMiseikis, Camilla Coletti,Valentina Tozzini, Stephan Heun
    “Revealing the multi-bonding state between hydrogen and Ti clusters supported graphene"
    The Journal of Physical Chemistry C (2016), 120 (24),  12974-12979
  56. Tanveer Hussain, Debra Searles, Keisuke Takahashi
    “Reversible Hydrogen Uptake by BN and BC3Monolayers Functionalized with Small Fe Clusters: A Route to Effective Energy Storage"
    The Journal of Physical Chemistry A (2016) 120 (12), 20092013
  57. Keisuke Takahashi, Tanveer Hussain, Lauren Takahashi,Jakub B Baran
    “Designing square two dimensional gold and platinum"”,
    Crystal Growth & Design,  (2016)16 (3),  1746–1750
  58. Keisuke Takahashi, Hiroshi Oka, Somei Ohnuki,
    “Selective growth of noble gases at metal/oxide interface"”,
    ACS Applied Materials & Interfaces,  (2016)8 (6), 3725–3729
  59. Keisuke Takahashi, Lauren. Takahashi,
    “Hydrophobic and antioxidant effects in In, Sn, and Sb based two dimensional materials”,
    Dalton Transactions, (2016)45, 3244-3246
  60. Keisuke Takahashi, Yuzuru Tanaka,
    “Material synthesis and design from first principle calculations and machine learning”,
    Computational Material Science, 112(2016), (364-367)
  61. M Sterlin Leo Hudson, Keisuke Takahashi, A Ramesh, Seema Awasthi, Ashish Kumar Ghosh, Ponniah Ravindran, Onkar Nath Srivastava,
    “Graphene decorated with Fe nanoclusters for improving the hydrogen sorption kinetics of MgH2 – Experimental and theoretical evidence”,
    Catalysis Science and Technology, 6 1 (2016), 261-268
  62. Lauren Takahashi, Keisuke Takahashi,
    “Low temperature pollutant trapping and dissociation over two-dimensional tin”,
    Physical Chemistry Chemical Physics, (2015), 17 (33), 21394-21396
  63. Keisuke Takahashi,
    “Iron oxide cluster induced barrier-free conversion of nitric oxide to ammonia”,
    Chemical Communications, 51 (2015), 4062-4064
  64. Seiji Sakuraya, Keisuke Takahashi, Naoyuki Hashimoto, Somei Ohnuki,
    “The effect of point defects on diffusion pathway within α-Fe”,
    Journal of Physics: Condensed Matter, 27 (2015) 175007
  65. Nobuko Hanada, Tessui Nakagawa, Hirotaka Asada, Masayoshi Ishida,Keisuke Takahashi, Shigehito Isobe, Itoko Saita, Kohta Asano, Yumiko Nakamura, Akitoshi Fujisawa, Shinichi Miura,
    “Dependence of constituent elements of AB5 type metal hydrides on hydrogenation degradation by CO2 poisoning”,
    Journal of Alloy and Compounds, 647 (2015) 198-203
  66. Keisuke Takahashi,
    “The growth of Fe clusters over graphene”,
    2D Materials, 2 (2015), 014001
  67. Keisuke Takahashi, Shigehito Isobe,
    “Enhancing the hydrogen storage capacity of TiFe by utilizing clusters”,
    Physical Chemistry Chemical Physics, 16 (2014), 16765-16770
  68. Keisuke Takahashi, Yongming Wang, Shotaro Chiba, Yuki Nakagawa, Shigehito Isobe, Somei Ohnuki,
    “Low temperature hydrogenation of iron nanoparticles on graphene”,
    Scientific Reports(Nature Publishing Group),4(2014), 4598
  69. Seiji Sakuraya, Keisuke Takahashi, Shuai Wang, Naoyuki Hashimoto, Somei Ohnuki,
    “Physical properties of α-Fe upon the introduction of H, He, C, and N”,
    Solid State Communications 195 (2014) 7073
  70. Keisuke Takahashi, Shigehito Isobe, Somei Ohnuki,
    “The stabilization of Fe, Ru, and Os clusters upon hydrogenation”,
    RSC Advances. 3 (2013), 21841-21847
  71. Keisuke Takahashi, Shigehito Isobe, Somei Ohnuki,
    “The catalytic effect of Nb, NbO and Nb2O5 with different surface plane on dehydrogenation in MgH2 :Density functional theory study”,
    Journal of Alloy and Compounds. 580 (2013), S25-S28
  72. Keisuke Takahashi, Shigehito Isobe, Somei Ohnuki,
    “H2 dissociation over NbO: The first step towards hydrogenation of Mg”,
    Langmuir 29 38 (2013), 12059-12065
  73. Keisuke Takahashi, Shigehito Isobe, Somei Ohnuki,
    “Erratum:Chemisorption of hydrogen on Fe clusters through hybrid bonding mechanisms”,
    Applied Physics Letters, 102  (2013), 113108-113108
  74. Keisuke Takahashi, Shigehito Isobe, Somei Ohnuki, “
    “Chemisorption of hydrogen on Fe clusters through hybrid bonding mechanisms”,
    Applied Physics Letters, 102  (2013): 113108-113108
  75. Shuai Wang, Keisuke Takahashi, Naoyuki Hashimoto, Shigehito Isobe,Somei Ohnuki,
    “A density function theory study of hydrogen-induced local strain field in b.c.c. iron and its effect on dislocation motion”,
    Scripta Materialia 68 (2013): 249–252
  76. Keisuke Takahashi, Shigehito Isobe, Somei Ohnuki,
    “The Structural and Electronic Properties of Small Osmium Clusters (2-14): A Density Functional Theory Study”,
    Chemical Physics Letters, 555 (2013): 26–30
  77. Tao Ma, Shigehito Isobe, Keisuke Takahashi, Shuai Wang, Yongming Wang, Naoyuki Hashimoto, Somei Ohnuki,
    “Phase Transition of Mg during Hydrogenation of Mg–Nb2O5 Evaporated Composites”,
    The Journal of Physical Chemistry C 116 32 (2012), 17089-17093

Proceedings

  1. Yuzuru Tanaka, Jonas Sjobergh, Keisuke Takahashi
    “Need for Exploratory Visual Analytics in Big Data Research and for Open Science"
    Proceedings of the 20th International Conference on Information Visualization IV (2016) 261-270

Perspective

  1. Keisuke Takahashi, Yuzuru Tanaka
    “Material Informatics: Journey towards Material Design and Synthesis”
    Dalton Transactions (Perspectives) (2016) 45, 10497-10499
  2. Keisuke Takahashi, Somei Ohnuki
    “Atomic Clusters: Unveiling New Properties of Metal and Applying Them to Modern Engineering Applications”
    Matelia 54, (2015)3

Cover Image

cover
  1. Keisuke Takahashi, Itsuki Miyazato, Shun Nishimura, Junya Ohyama
    “Front Cover: Unveiling hidden catalysts for the oxidative coupling of methane based on combining machine learning and literature data"
    ChemCatChem (2018) 10, 15, 3133
cover
  1. Shun Nishimura, Junya Ohyama, Takaaki Kinoshita,Son Dinh Le, Keisuke Takahashi
    “Revisiting Machine Learning Predictions for Oxidative Coupling of Methane (OCM) based on Literature Data "
    ChemCatChem (2020) 12 (23), 5888-5892

Interview Article

  1. Keisuke Takahashi, Itsuki Miyazato, Shun Nishimura, Junya Ohyama
    “Cover Profile: Unveiling hidden catalysts for the oxidative coupling of methane based on combining machine learning and literature data"
    ChemCatChem (2018) 10, 15, 3135