"Gekko Budiutama,Sergei Manzhos,Manabu Ihara","Hybrid Density Functional based Tight Binding-Molecular Mechanics Approach with Machine Learned Potentials for Large-Scale Materials Modeling","2022 MRS Fall Meeting & Exhibit",,,,,,2022,Dec.
"Gekko Budiutama,Sergei Manzhos,Manabu Ihara","Investigation of expressive power of a neural network architecture suited for optical neural networks","SPIE/COS Photonics Asia 2022","PROCEEDINGS VOLUME 12318, SPIE/COS PHOTONICS ASIA 2022, Holography, Diffractive Optics, and Applications XII",,,,,2022,Dec.
"A. Sorkin,Y. Guo,M. Ihara,S. Manzhos,H. Wang","Reversible electrochemical lithiation as a way to facilitate the machining of ceramics: a computational study","the Asian Conference on Electrochemical Power Sources 11 (ACEPS’11)",,,,,,2022,Dec.
"Gekko Budiutama,Sergei Manzhos,Manabu Ihara","Investigation of expressive power of a neural network architecture suited for optical neural networks","SPIE/COS Photonics Asia 2022",,,,,,2022,Dec.
"Masashi Ohya,Shuai Wang,?? 博,Sergei Manzhos,Manabu Ihara","配電領域を考慮した太陽光発電の導入ポテンシャルの精緻化による国内水素製造量の影響評価","第42回水素エネルギー協会大会 (HESS大会)",,,,,,2022,Nov.
"Hyojae Lee,Shiyunsaku Tsuda,Taiki Iijima,Sergei Manzhos,Manabu Ihara","マイクログリッドにおける電力需要予測に向けた高次元データと時定数解析の検討","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Shiyunsaku Tsuda,Tatsuya Okubo,Hyojae Lee,Taiki Iijima,Natsuki Otoshi,Sergei Manzhos,Manabu Ihara","汎用的な電力需要予測に向けた高次元エネルギーデータの分析と回帰モデルの検討","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Takaaki Ariga,Keisuke Kameda,Kazuma Ito,Sergei Manzhos,Manabu Ihara","プロトン伝導体の原子価結合法計算に向けたニューラルネットワークモデルの適用","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Taiki Iijima,Hyojae Lee,Shiyunsaku Tsuda,Sergei Manzhos,Manabu Ihara","電力予測モデル構築に向けた高次元エネルギーデータのクラスタリング手法の検討と解析","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Sayaka Shirakura,Tatsuya Okubo,(東芝) 松岡 敬・ (東芝エネルギーシステムズ) 松永 健太郎,(法)佐藤 純一,Sergei Manzhos,Manabu Ihara","低炭素と経済性の両立に向けた建物規模分散型水素蓄エネルギーシステムの最適化設計","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Tatsuya Okubo,(ENEOS) (法)原田 耕佑,(法)高見 洋史,Sergei Manzhos,Manabu Ihara","卸電力市場からの電源調達を考慮した燃料電池を含む再エネ水素ステーションの最適設計","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Masashi Ohya,?? 博,Sergei Manzhos,Manabu Ihara","配電領域における太陽光発電の導入ポテンシャルの精緻化及び経済最適化モデルを用いた導入影響評価","化学工学会第53回秋季大会",,,,,,2022,Sept.
"Thu-Trang Do,Yasunori Takeda,Tomohito Sekine,Yogesh Yadav,Sergei Manzhos,Krishna Feron,Samarendra P Singh,Shizuo Tokito,Prashant Sonar","Bottom gate top contact organic transistors using thiophene and furan flanked diketopyrrolopyrrole polymers and its comparative study",,"Flexible and Printed Electronics",,"Volume 7","Number 3",,2022,Aug.
"Thu-Trang Do,Yasunori Takeda,Tomohito Sekine,Yogesh Yadav,Sergei Manzhos,Krishna Feron,Samarendra P Singh,Shizuo Tokito,Prashant Sonar","Bottom gate top contact organic transistors using thiophene and furan flanked diketopyrrolopyrrole polymers and its comparative study",,"Flexible and Printed Electronics",,"Volume 7","Number 3",,2022,Aug.
"H. Kulik,T. Hammerschmidt,J. Schmidt,S. Botti,M. A. L. Marques,M. Boley,M. Scheffler,M. Todorovi?,P. Rinke,C. Oses,A. Smolyanyuk,S. Curtarolo,A. Tkatchenko,A. Bartok,S. Manzhos,M. Ihara,T. Carrington,J. Behler,O. Isayev,M. Veit,A. Grisafi,J. Nigam,M. Ceriotti,K. T. Sch?tt,J. Westermayr,M. Gastegger,R. Maurer,B. Kalita,K. Burke,R. Nagai,R. Akashi,O. Sugino,J. Hermann,F. No?,S. Pilati,C. Draxl,M. Kuban,S. Rigamonti,M. Scheidgen,M. Esters,D. Hicks,C. Toher,P. Balachandran,I. Tamblyn,S. Whitelam,C. Bellinger,L. M. Ghiringhelli","Roadmap on machine learning in electronic structure",,"Electronic Structure",,"Volume 4","Number 2",,2022,Aug.
"Sergei Manzhos","Machine learning in computational chemistry: the connections",,,,,,,2022,June
"D. Koch,S. Manzhos*,M. Chaker","The role of local DFT+U minima in the first-principles modeling of the metal-insulator transition in vanadium dioxide",,"The Journal of Physical Chemistry A",,"Volume 126","Issue 22","  3604-3611",2022,June
"Sergei Manzhos,Manabu Ihara","Machine learning of potentials and functionals from sparse data and how to get insight with a black box method","29th Canadian Symposium on Theoretical and Computational Chemistry (CSTCC)",,,,,,2022,June
"Y. J. Lee,Y. Zhang,A. Sorkin,S. Manzhos,H. Wang","Effect of a weak magnetic field on ductile-brittle transition in micro-cutting of single-crystal calcium fluoride",,"Journal of Materials Science & Technology",,"Volume 112",,"Page 96-113",2022,June
"P. Sundarapura,M. Ihara,S. Manzhos","Density functional tight binding modeling of porous silicon for all-silicon tandem solar cells","Canadian Chemistry Conference and Exhibition (CCCE 2022)",,,,,,2022,June
"T. Ariga,K. Kameda,M. Ihara,S. Manzhos","Machine learning based enhancement of the bond valence method for rapid screening of solid state ionic conductors","Canadian Chemistry Conference and Exhibition (CCCE 2022)",,,,,,2022,June
"S. Manzhos*,M. Ihara","Computational vibrational spectroscopy of molecule-surface interactions: what is still difficult and what can be done about it",,"Physical Chemistry Chemical Physics",,"  24",,"  15158-15172",2022,May
"Gekko Patria Budiutama,Sergei Manzhos,Manabu Ihara","Effective Passivation of TiO2/Si by Interlayer SiOx Controlled by Scanning Zone Annealing for Perovskite/Si Tandem Solar Cell",,"Solar Energy",,"Volume 236",,"Page 772-781",2022,Apr.
"Sergei Manzhos,Manabu Ihar","Advanced Machine Learning Methods for Learning from Sparse Data in High-Dimensional Spaces: A Perspective on Uses in the Upstream of Development of Novel Energy Technologies",,"Physchem",,"  2","  2","  72-95",2022,Mar.
"Chen Kexin,Hasegawa Kei,Manzhos Sergei,Ihara Manabu,Waki Keiko","Study on Activity of Citric Acid-decorated Carbon Nanotubes for Oxygen Reduction Reaction","化学工学会第87年会",,,,,,2022,Mar.
"Jiei Yasumoto,Kazuma Suzuki,Gekko Patria Budiutama,Kei Hasegawa,Sergei Manzhos,Manabu Ihara","熱分解を抑えた高速熱処理によるペロブスカイト活性層の大粒径化","化学工学会第87年会",,,,,,2022,Mar.
"Qian Liu,Waner He,Yongqiang Shi,Sultan Otep,Wen Liang Tan,Sergei Manzhos,Christopher R. McNeill,Xugang Guo,Prashant Sonar*,Tsuyoshi Michinobu*,Aung Ko Ko Kyaw*","Directional carrier polarity tunability in ambipolar organic transistors based on diketopyrrolopyrrole and bithiophene imide dual-acceptor semiconducting polymers",,"Chemistry of Materials","American Chemical Society","Vol. 34(7)","No. 7","pp. 3140-3151",2022,Mar.
"Chen Kexin,Hasegawa Kei,Manzhos Sergei,Ihara Manabu,Waki Keiko","Study on Activity of Citric Acid-decorated Carbon Nanotubes for Oxygen Reduction Reaction","化学工学会第87年会",,,,,,2022,Mar.
"Chen Kexin,Hasegawa Kei,Manzhos Sergei,Ihara Manabu,Waki Keiko","Study on Activity of Citric Acid-decorated Carbon Nanotubes for Oxygen Reduction Reaction","化学工学会第87年会",,,,,,2022,Mar.
"Li Ruicheng,Hasegawa Kei,Manzhos Sergei,Ihara Manabu,Waki Keiko","Investigating the Structural Change of PbI2-rich Perovskite Solar Cells After Storage","化学工学会第87年会",,,,,,2022,Mar.
"Sundarapura Panus,Manzhos Sergei,Ihara Manabu","Modeling of the Effects of Porosity and Passivation on Porous Silicon","化学工学会第87年会",,,,,,2022,Mar.
"Natsuki Otoshi,Tatsuya Okubo,Kei Hasegawa,Sergei Manzhos,Manabu Ihara","影を含む太陽電池発電量予測における日射強度推定モデルと実測値による機械学習の検討","化学工学会第87年会",,,,,,2022,Mar.
"Takaaki Ariga,Keisuke Kameda,Eita Sasaki,Kei Hasegawa,Sergei Manzhos,Manabu Ihara","原子価結合法への機械学習の適用によるペロブスカイト型プロトン伝導体探索の検討","化学工学会第87年会",,,,,,2022,Mar.
"O. Ren,M. Ali Boussaidi,D. Voytsekhovsky,M. Ihara,S. Manzhos","Random Sampling High Dimensional Model Representation Gaussian Process Regression (RS-HDMR-GPR) for representing multidimensional functions with machine-learned lower-dimensional terms allowing insight with a general method",,"Computer Physics Communications",,"Vol. 271",,,2022,Feb.
"D. Koch,S. Manzhos,M. Chaker","Modeling the Metal-Insulator Transition in Vanadium Dioxide from First Principles: How Local Minima in DFT+U Can Affect Conclusions","46th International Conference and Expo on Advanced Ceramics and Composites (ICACC2022)",,,,,,2022,Jan.
"Keisuke Kameda,Takaaki Ariga,Sergei Manzhos,Manabu Ihara","Enhancing the bond valence representation for prescreening of solid state ionic conductors","Electronic Materials and Applications 2022 (EMA 2022)",,,,,,2022,Jan.
"Sergei Manzhos,Manabu Ihara","Non-parametric machine learning for orbital-free DFT simulations","46th International Conference and Expo on Advanced Ceramics and Composites (ICACC2022)",,,,,,2022,Jan.
"Sergei Manzhos,Eita Sasaki,Manabu Ihara","Easy representation of multivariate functions with low-dimensional terms via Gaussian process regression kernel design: applications to machine learning of potential energy surfaces and kinetic energy densities from sparse data",,"Machine Learning: Science and Technology",,,,,2022,Jan.
"T. Carrington,S. Manzhos,M. Ihara,T. Carrington","“Machine learning for vibrational spectroscopy“",,"Quantum Chemistry in the Age of Machine Learning (Ed. P. Dral)","Elsevier",,,,2022,