2022

1. Keisuke Takahashi,* Lauren Takahashi, Son Dinh Le, Takaaki Kinoshita, Shun Nishimura, and Junya Ohyama
   “Synthesis of Heterogeneous Catalysts in Catalyst Informatics to Bridge Experiment and High-Throughput Calculation "
   Journal of the American Chemical Society (2022) In Press
2. Shun Nishimura, Junya Ohyama, Xinyue Li, Itsuki Miyazato, Toshiaki Taniike, Keisuke Takahashi
   “Machine Learning-Aided Catalyst Modification in Oxidative Coupling of Methane via Manganese Promoter "
   Industrial & Engineering Chemistry Research (2022) 61, 24, 8462–8469
3. Junya Ohyama*, Daiki Abe, Airi Hirayama, Hiroki Iwai, Yuka Tsuchimura, Kazuki Sakamoto, Momoka Irikura, Yuri Nakamura, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Tomokazu Yamamoto, Syo Matsumura,Keisuke Takahashi
   “Selective Oxidation of Methane to Formaldehyde over a Silica-Supported Cobalt Single-Atom Catalyst "
   The Journal of Physical Chemistry C (2022) 126,4, 1785-1792
4. Shun Nishimura, Son Dinh Le, Itsuki Miyazato,b Jun Fujima, Toshiaki Taniike, Junya Ohyama, Keisuke Takahashi
   “High-throughput screening and literature data-driven machine learning-assisted investigation of multi-component La2O3-based catalysts for the oxidative coupling of meth\ ane "
   Catalysis Science & Technology (2022) 12, 2766-2774
5. Junya Ohyama*, Yuka Tsuchimura, Airi Hirayama, Hiroki Iwai, Hiroshi Yoshida, Masato Machida, Shun Nishimura, Kazuo Kato, Keisuke Takahashi
   “Relationships among the Catalytic Performance, Redox Activity, and Structure of Cu-CHA Catalysts for the Direct Oxidation of Methane to Methanol Investigated Using In Situ XAFS and UV–\ Vis Spectroscopies "
   ACS Catalysis (2022) 12, 2456-2462

2021

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. Thanh Nhat Nguyen, Kalaivani Seenivasan, Sunao Nakanowatari, Priyank Mohan, Thuy Phuong Nhat Tran, Shun Nishimura, Keisuke Takahashi, Toshiaki Taniike
   “Factors to influence low-temperature performance of supported Mn–Na2WO4 in oxidative coupling of methane "
   Molecular Catalysis(2021), 516, 111976
3. 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
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. 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 (2021) 11 (2), 524-530

2020

1. 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
2. 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
3. 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
4. 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
5. 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
6. 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

2019

1. 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
2. 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
3. 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
4. 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
5. 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
6. 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

2018

1. 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
2. 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
3. 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

Cover Image

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

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

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

1. Shun Nishimura, Son Dinh Le, Itsuki Miyazato,b Jun Fujima, Toshiaki Taniike, Junya Ohyama, Keisuke Takahashi
   “High-throughput screening and literature data-driven machine learning-assisted investigation of multi-component La2O3-based catalysts for the oxidative coupling of meth\ \ ane "
   Catalysis Science & Technology (2022) 12, 2766-2774

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