@article{CTT100925708, author = {D. Koch and M. Pavanello and X. Shao and M. Ihara and P. W. Ayers and C. F. Matta and S. Jenkins and S. Manzhos}, title = {The analysis of electron densities: from basics to emergent applications}, journal = {Chem. Rev.}, year = 2024, } @article{CTT100925696, author = {J. Luder and M. Ihara and S. Manzhos}, title = {A machine-learned kinetic energy model for light weight metals and compounds of group III-V elements}, journal = {Electronic Structure}, year = 2024, } @article{CTT100927778, author = {Keisuke Kameda and Takaaki Ariga and Kazuma Ito and Manabu Ihara and Sergei Manzhos}, title = {Machine learning the screening factor in the soft bond valence approach for rapid crystal structure estimation}, journal = {Digital Discovery}, year = 2024, } @article{CTT100916534, author = {S. Manzhos and Q.-G. Chen and W.-Y. Lee and Yoon Hee Joo and Manabu Ihara and C.-C. Chueh}, title = {Computational investigation of the potential and limitations of machine learning with neural network circuits based on synaptic transistors}, journal = {The Journal of Physical Chemistry Letters}, year = 2024, } @article{CTT100911023, author = {Takuma Okamoto and A. Sorkin and Keisuke Kameda and Manabu Ihara and H. Wang and Sergei Manzhos}, title = {Natural-like generation of grain boundary models and the combined effects of microstructural elements and lithiation on the plastic behavior of TiO2: a computational study}, journal = {Computational Materials Science}, year = 2024, } @article{CTT100907263, author = {S. Manzhos and M. Ihara}, title = {Degeneration of kernel regression with Matern kernels into low-order polynomial regression in high dimension}, journal = {The Journal of Chemical Physics}, year = 2024, } @article{CTT100907152, author = {Methawee Nukunudompanich and Heejoo Yoon and Lee Hyojae and Keisuke Kameda and Manabu Ihara and Sergei Manzhos}, title = {Machine learning of properties of lead-free perovskites with a neural network with additive kernel regression-based neuron activation functions}, journal = {MRS Advances}, year = 2024, } @inproceedings{CTT100927999, author = {伊原 学}, title = {カーボンニュートラルに向けたエネルギーシステム変革を目指して --世界初、カーボン空気二次電池システムとエネルギーシステム”Ene-Swallow®︎”の開発--}, booktitle = {}, year = 2024, } @inproceedings{CTT100928008, author = {Shuai Wang and Masashi Ohya and Natsuki Otoshi and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {The Potential of Solar Cell Installation on building façades Considering Technological Innovation Scenarios}, booktitle = {}, year = 2024, } @inproceedings{CTT100929553, author = {Manabu Ihara and Keisuke Kameda and Taishiro Wakamiya and Reimi Takagi and Chen Kexin and Sergei Manzhos}, title = {Concept and Advantages of Carbon/Air Secondary Battery System as a Fixed Compact Power Storage with Large Capacity}, booktitle = {}, year = 2024, } @inproceedings{CTT100929551, author = {Keisuke Kameda and Taishiro Wakamiya and Reimi Takagi and Sergei Manzhos and Manabu Ihara}, title = {Significantly Improved Stability of Carbon/Air Secondary Battery System By Separating Carbon Deposition Area}, booktitle = {}, year = 2024, } @inproceedings{CTT100925713, author = {高木 伶海 and 加藤 航太 and 遠藤 明日香 and Chen Kexin and 若宮 大志郎 and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {カーボン空気二次電池システムの充放電特性に対する温度依存性}, booktitle = {}, year = 2024, } @inproceedings{CTT100925718, author = {香川 達哉 and 飯嶌 大樹 and Lee Hyojae and Wang Shuai and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {クラスタリングを利用したSHAP値の解析手法によるエネルギー消費行動の可視化}, booktitle = {}, year = 2024, } @inproceedings{CTT100925717, author = {大歳 夏生 and 葛西 祐也 and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {日射成分とモジュール構造に基づく影計算による太陽電池リアルタイム発電量予測モデル}, booktitle = {}, year = 2024, } @inproceedings{CTT100925716, author = {Wang Shuai and 大屋 昌士 and 大歳 夏生 and 亀田 恵佑 and 濱崎 博 and Manzhos Sergei and 伊原 学}, title = {2050年のエネルギーシステム最適化に向けた全国建物壁面の太陽電池ポテンシャル算出}, booktitle = {}, year = 2024, } @inproceedings{CTT100925714, author = {亀田 恵佑 and 若宮 大志郎 and 吉田 紗良 and Chen Kexin and マンゾス セルゲイ and 伊原 学}, title = {高効率と耐久性向上を両立させるカーボン空気二次電池システムのニッケルベース燃料極の開発}, booktitle = {}, year = 2024, } @inproceedings{CTT100925712, author = {前田 佳亮 and Li Ruicheng and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {第一原理計算を用いた材料インフォマティクスにおけるペロブスカイト太陽電池の炭素系材料の検討}, booktitle = {}, year = 2024, } @inproceedings{CTT100925452, author = {伊原 学}, title = {Beyondカーボンニュートラル、アンビエントエネルギー社会実現に向けた世界初、大容量コンパクト”カーボン空気二次電池システム”の実用化}, booktitle = {}, year = 2024, } @inproceedings{CTT100925385, author = {J. Luder and M. Ihara and sergei manzhos}, title = {Kinetic energy density-based machine learning models of kinetic energy using gradient expansion based features}, booktitle = {}, year = 2024, } @inproceedings{CTT100923819, author = {Kexin Chen and William Dawson and Takahito Nakajima and Aulia Sukma Hutama and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Bandstructure modulation and molecular adsorption properties of zirconia nanoparticles: a large-scale electronic structure study}, booktitle = {}, year = 2024, } @inproceedings{CTT100923827, author = {Sergei Manzhos and Manabu Ihara}, title = {Additive kernel based methods for stable machine learning from sparse data: from materials informatics to orbital-free DFT}, booktitle = {}, year = 2024, } @inproceedings{CTT100923826, author = {Takuma Okamoto and Anastassia Sorkin and Keisuke Kameda and Manabu Ihara and Hao Wang and Sergei Manzhos}, title = {Computational models of grain structures of titania with nature-like grain distributions}, booktitle = {}, year = 2024, } @inproceedings{CTT100923159, author = {伊原 学}, title = {カーボンニュートラルに向けたエネルギーシステム変革を目指す”Ene-Swallow®デジタルツイン"}, booktitle = {}, year = 2024, } @inproceedings{CTT100922454, author = {伊原学}, title = {InfoSyEnergy水素エネルギービジョンpart2 -- グローバル水素の価格に対するエネルギーシステムの変化 --}, booktitle = {}, year = 2024, } @inproceedings{CTT100915615, author = {伊原 学}, title = {【研究者ピッチのオーディエンス賞受賞】世界初のCO2と炭素を使った大容量蓄電システムの実用化}, booktitle = {}, year = 2024, } @inproceedings{CTT100911584, author = {伊原学}, title = {エネルギービッグデータをコアとするカーボンニュートラルデジタルツイン}, booktitle = {}, year = 2024, } @inproceedings{CTT100915843, author = {伊原 学}, title = {世界初のカーボン空気二次電池システムの実用化及び運用支援プラットフォームの提供}, booktitle = {}, year = 2024, } @inproceedings{CTT100915740, author = {Sergei Manzhos and Manabu Ihara}, title = {Hybrid approaches to machine learning from small datasets for applications from materials informatics to large-scale DFT}, booktitle = {}, year = 2024, } @inproceedings{CTT100915738, author = {Nukunudompanich and H. Yoon and L. Hyojae and K. Kameda and M. Ihara and S. Manzhos}, title = {Machine learning of properties of perovskites with an NN with additive kernel GPR-based neuron activation functions}, booktitle = {}, year = 2024, } @inproceedings{CTT100915715, author = {Sergei Manzhos and Manabu Ihara}, title = {Reliable machine learning from sparse data in high dimension with additive kernel based methods}, booktitle = {}, year = 2024, } @inproceedings{CTT100914376, author = {Ruicheng Li and Keisuke Maeda and Man-Fai Ng and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Exploring Carbon Nanoflake Based Materials for Charge Transport Layers of Perovskite Solar Cells: A Combined DFT-DFTB Study Including Effects of Solid-State Packing}, booktitle = {}, year = 2024, } @inproceedings{CTT100914375, author = {Kexin Chen and William Dawson and Takahito Nakajima and Aulia Hutama and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Effects of Nanosizing of Zirconia and Bandstructure Modulation on Catalytic Activity: Insights from a Combined Density Functional Tight Binding – Order(N) Density Functional Theory Study}, booktitle = {}, year = 2024, } @inproceedings{CTT100914374, author = {Takuma Okamoto and Anastassia Sorkin and Keisuke Kameda and Wang Hao and Manabu Ihara and Sergei Manzhos}, title = {Modelling of Natural-Like Grain Generation of TiO2 and its effect on Band Structures}, booktitle = {}, year = 2024, } @inproceedings{CTT100914372, author = {Ruicheng Li and Gekko Budiutama and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Exploring The Application of Hybrid DFTB-Molecular Mechanics Approach to Computing Optical Properties}, booktitle = {}, year = 2024, } @inproceedings{CTT100909980, author = {Kexin Chen and Aulia Sukma Hutama and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Modulation of Molecular Adsorption Properties of Zirconia Nanoparticles: A Density Functional Tight Binding Theory Study}, booktitle = {}, year = 2024, } @inproceedings{CTT100909979, author = {岡本 卓磨 and Anastassia Sorkin and 亀田 恵佑 and Wang Hao and Sergei Manzhos and 伊原 学}, title = {Rutile型酸化チタンの自然発生的粒界形成の検討}, booktitle = {}, year = 2024, } @inproceedings{CTT100909978, author = {Ruicheng Li and Keisuke Maeda and Man-Fai Ng and Keisuke Kameda and Sergei Manzhos and Manabu Ihara}, title = {Exploring Electronic Properties of Carbon Nanoflake-Based Materials for Charge Transport Layers in Perovskite Solar Cells: Insight from Solid-state Modelling}, booktitle = {}, year = 2024, } @inproceedings{CTT100909051, author = {Chen Kexin and Kameda Keisuke and Koga Yasutomo and Manzhos Sergei and Ihara Manabu}, title = {Modelling of CO/CO2 Electrode Reactions in Carbon/Air Secondary Battery System}, booktitle = {}, year = 2024, } @inproceedings{CTT100909025, author = {亀田 恵佑 and 若宮 大志郎 and Chen Kexin and Manzhos Sergei and 伊原 学}, title = {炭素析出制御可能なカーボン空気二次電池システムの電極開発}, booktitle = {}, year = 2024, } @inproceedings{CTT100909024, author = {亀田 恵佑 and 中川 慶 and 古賀 康友 and Chen Kexin and 高木 伶海 and 若宮 大志郎 and 岡崎 成美 and Lee Hyojae and 大歳 夏生 and Manzhos Sergei and 伊原 学}, title = {電極反応モデルに基づく水素発電におけるBaZr0.9Y0.1O3-δ添加Ni/YSZ燃料極の反応種被覆率の推定}, booktitle = {}, year = 2024, } @inproceedings{CTT100909023, author = {大歳 夏生 and Lee Hyojae and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {リアルタイム雲画像データに基づく日射成分を用いた影を含む太陽電池発電量予測モデル}, booktitle = {}, year = 2024, } @inproceedings{CTT100909022, author = {吉岡 大雄 and 白倉 沙也加 and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {熱・電力需要の変動が建物規模分散型水素蓄エネルギーシステムの経済性に与える影響}, booktitle = {}, year = 2024, } @inproceedings{CTT100908296, author = {伊原 学}, title = {InfoSyEnergyにおけるエネルギービッグデータの活用と活動概要}, booktitle = {}, year = 2024, } @inproceedings{CTT100908005, author = {S. Manzhos, M and Ihara}, title = {Machine learning in computational chemistry beyond off-the-shelf methods: how to cut the cost, handle overfitting, and obtain elements of insights}, booktitle = {}, year = 2024, } @inproceedings{CTT100925715, author = {若宮 大志郎 and Chen Kexin and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {カーボン空気二次電池システムにおける充放電特性のサーメット電極依存性}, booktitle = {}, year = 2024, } @inproceedings{CTT100925719, author = {岡崎 成美 and 亀田 恵佑 and Manzhos Sergei and 伊原 学}, title = {変動型再エネの発電量変動に追従する水素製造方法としての水Pulse-jet固体酸化物電解セルの提案}, booktitle = {}, year = 2024, } @misc{CTT100911583, author = {亀田 恵佑 and Sergei and 伊原 学}, title = {炭素と二酸化炭素の酸化還元反応を利用した大容蓄電技術「カーボン空気二次電池システム」}, year = 2024, } @misc{CTT100932502, author = {伊原学 and 亀田恵佑 and 高木伶海 and 若宮大志郎}, title = {カーボン空気二次電池}, howpublished = {登録特許}, year = 2025, month = {}, note = {特願2024-538363(2024/03/04), WO 2024/190513(2024/09/19), 特許第7614691号(2025/01/07)} } @misc{CTT100928459, author = {伊原学 and 亀田恵佑 and 高木伶海 and 若宮大志郎}, title = {カーボン空気二次電池}, howpublished = {公開特許}, year = 2024, month = {}, note = {PCT/JP2024/008157(2024/03/04), WO 2024/190513(2024/09/19)} }