High-throughput experimentation and catalyst informatics for oxidative coupling of methane TN Nguyen, TTP Nhat, K Takimoto, A Thakur, S Nishimura, J Ohyama, ... Acs Catalysis 10 (2), 921-932, 2019 | 138 | 2019 |
The rise of catalyst informatics: towards catalyst genomics K Takahashi, L Takahashi, I Miyazato, J Fujima, Y Tanaka, T Uno, ... ChemCatChem 11 (4), 1146-1152, 2019 | 87 | 2019 |
Searching for hidden perovskite materials for photovoltaic systems by combining data science and first principle calculations K Takahashi, L Takahashi, I Miyazato, Y Tanaka ACS Photonics 5 (3), 771-775, 2018 | 83 | 2018 |
Creating machine learning-driven material recipes based on crystal structure K Takahashi, L Takahashi The journal of physical chemistry letters 10 (2), 283-288, 2019 | 44 | 2019 |
Learning catalyst design based on bias-free data set for oxidative coupling of methane TN Nguyen, S Nakanowatari, TP Nhat Tran, A Thakur, L Takahashi, ... ACS Catalysis 11 (3), 1797-1809, 2021 | 38 | 2021 |
Low temperature pollutant trapping and dissociation over two-dimensional tin L Takahashi, K Takahashi Physical Chemistry Chemical Physics 17 (33), 21394-21396, 2015 | 36 | 2015 |
Catalyst Acquisition by Data Science (CADS): a web-based catalyst informatics platform for discovering catalysts J Fujima, Y Tanaka, I Miyazato, L Takahashi, K Takahashi Reaction Chemistry & Engineering 5 (5), 903-911, 2020 | 31 | 2020 |
Automatic oxidation threshold recognition of XAFS data using supervised machine learning I Miyazato, L Takahashi, K Takahashi Molecular Systems Design & Engineering 4 (5), 1014-1018, 2019 | 29 | 2019 |
Multidimensional classification of catalysts in oxidative coupling of methane through machine learning and high-throughput data K Takahashi, L Takahashi, TN Nguyen, A Thakur, T Taniike The Journal of Physical Chemistry Letters 11 (16), 6819-6826, 2020 | 28 | 2020 |
Catalysts informatics: paradigm shift towards data-driven catalyst design K Takahashi, J Ohyama, S Nishimura, J Fujima, L Takahashi, T Uno, ... Chemical Communications 59 (16), 2222-2238, 2023 | 25 | 2023 |
Descriptors for predicting the lattice constant of body centered cubic crystal K Takahashi, L Takahashi, JD Baran, Y Tanaka The Journal of chemical physics 146 (20), 2017 | 24 | 2017 |
Direct design of active catalysts for low temperature oxidative coupling of methane via machine learning and data mining J Ohyama, T Kinoshita, E Funada, H Yoshida, M Machida, S Nishimura, ... Catalysis Science & Technology 11 (2), 524-530, 2021 | 23 | 2021 |
Data-driven identification of the reaction network in oxidative coupling of the methane reaction via experimental data I Miyazato, S Nishimura, L Takahashi, J Ohyama, K Takahashi The journal of physical chemistry letters 11 (3), 787-795, 2020 | 23 | 2020 |
Redesigning the materials and catalysts database construction process using ontologies L Takahashi, I Miyazato, K Takahashi Journal of chemical information and modeling 58 (9), 1742-1754, 2018 | 22 | 2018 |
Constructing catalyst knowledge networks from catalyst big data in oxidative coupling of methane for designing catalysts L Takahashi, TN Nguyen, S Nakanowatari, A Fujiwara, T Taniike, ... Chemical Science 12 (38), 12546-12555, 2021 | 20 | 2021 |
Visualizing scientists’ cognitive representation of materials data through the application of ontology L Takahashi, K Takahashi The journal of physical chemistry letters 10 (23), 7482-7491, 2019 | 20 | 2019 |
Data driven determination in growth of silver from clusters to nanoparticles and bulk K Takahashi, L Takahashi The journal of physical chemistry letters 10 (14), 4063-4068, 2019 | 20 | 2019 |
Extraction of catalyst design heuristics from random catalyst dataset and their utilization in catalyst development for oxidative coupling of methane S Nakanowatari, TN Nguyen, H Chikuma, A Fujiwara, K Seenivasan, ... ChemCatChem 13 (14), 3262-3269, 2021 | 19 | 2021 |
Structural stability and electronic properties of an octagonal allotrope of two dimensional boron nitride L Takahashi, K Takahashi Dalton Transactions 46 (13), 4259-4264, 2017 | 18 | 2017 |
Designing square two-dimensional gold and platinum K Takahashi, T Hussain, L Takahashi, JD Baran Crystal Growth & Design 16 (3), 1746-1750, 2016 | 16 | 2016 |