Orbital-free density functional theory calculation applying semi-local machine-learned kinetic energy density functional and kinetic potential von Fujinami, Mikito, Kageyama, Ryo, Seino, Junji, Ikabata, Yasuhiro, Nakai, Hiromi

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Semi-local machine-learned kinetic energy density functional demonstrating smooth potential energy curves von Seino, Junji, Kageyama, Ryo, Fujinami, Mikito, Ikabata, Yasuhiro, Nakai, Hiromi

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Quantum Chemical Reaction Prediction Method Based on Machine Learning von Fujinami, Mikito, Seino, Junji, Nakai, Hiromi

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Virtual Reaction Condition Optimization based on Machine Learning for a Small Number of Experiments in High-dimensional Continuous and Discrete Variables von Fujinami, Mikito, Seino, Junji, Nukazawa, Takumi, Ishida, Shintaro, Iwamoto, Takeaki, Nakai, Hiromi

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Comprehensive image dataset for enhancing object detection in chemical experiments von Sasaki, Ryosuke, Fujinami, Mikito, Nakai, Hiromi

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Solvent Selection Scheme Using Machine Learning Based on Physicochemical Description of Solvent Molecules: Application to Cyclic Organometallic Reaction von Fujinami, Mikito, Maekawara, Hiroki, Isshiki, Ryota, Seino, Junji, Yamaguchi, Junichiro, Nakai, Hiromi

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Erratum: “Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density” [J. Chem. Phys. 148, 241705 (2018)] von Seino, Junji, Kageyama, Ryo, Fujinami, Mikito, Ikabata, Yasuhiro, Nakai, Hiromi

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Application and integration of computer vision technologies for automated recognition and recording of chemical experiments von Sasaki, Ryosuke, Fujinami, Mikito, Nakai, Hiromi

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Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density von Seino, Junji, Kageyama, Ryo, Fujinami, Mikito, Ikabata, Yasuhiro, Nakai, Hiromi

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Application of object detection and action recognition toward automated recognition of chemical experiments von Sasaki, Ryosuke, Fujinami, Mikito, Nakai, Hiromi

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Construction of Image Datasets for Chemical Experiments and Numerical Assessment of Object Detection Methods von SASAKI, Ryosuke, FUJINAMI, Mikito, NAKAI, Hiromi

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Theoretical Study on the Relationship between Circular Dichroism and Circularly Polarized Luminescence in Oxaza[7]dehydrohelicene Derivatives von FUJIWARA, Masaya, FUJINAMI, Mikito, SALEM, Mohamed S. H., TAKIZAWA, Shinobu, NAKAI, Hiromi

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Development of Reaction Prediction Scheme Based on Machine Learning with Quantum Chemical Descriptors von FUJINAMI, Mikito, SEINO, Junji, NAKAI, Hiromi

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Annotated Chemical Apparatus Image Dataset von Nakai, Hiromi

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Annotated Chemical Apparatus Image Dataset von Nakai, Hiromi

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Oxaza[7]dehydrohelicene誘導体における円偏光二色性と円偏光発光に関する理論的研究 von 藤原, 正也, 藤波, 美起登, 滝澤, 忍, 中井, 浩巳

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Development of Reaction Prediction Scheme Based on Machine Learning with Quantum Chemical Descriptors von FUJINAMI, Mikito, SEINO, Junji, NAKAI, Hiromi

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化学実験画像データセットの作成と物体検出の数値検証 von 佐々木, 良輔, 藤波, 美起登, 中井, 浩巳

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量子化学計算情報を記述子とした機械学習に基づく反応予測手法の開発 von 藤波, 美起登, 清野, 淳司, 中井, 浩巳

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