{"id":298,"date":"2014-03-17T21:24:21","date_gmt":"2014-03-17T12:24:21","guid":{"rendered":"http:\/\/barato.sci.hokudai.ac.jp\/~qc\/en\/?page_id=298"},"modified":"2022-12-19T16:27:40","modified_gmt":"2022-12-19T07:27:40","slug":"masato-kobayashi","status":"publish","type":"page","link":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/member\/masato-kobayashi\/","title":{"rendered":"Masato KOBAYASHI"},"content":{"rendered":"<p>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"5\">\n<tbody>\n<tr>\n<td valign=\"bottom\">Associate Professor, Quantum Chemistry Laboratory, Department of Chemistry,<br \/>\nFaculty of Science, Hokkaido University<br \/>\n<br \/>\nHokkaido University School of Science Kita 10, Nishi 8, Kita-ku, Sapporo<br \/>\n060-0810 Japan<\/td>\n<td align=\"right\"><img decoding=\"async\" loading=\"lazy\" class=\"alignnone wp-image-1336 size-img_small\" src=\"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-223x149.jpeg\" alt=\"\" width=\"223\" height=\"149\" srcset=\"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-223x149.jpeg 223w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-670x447.jpeg 670w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-1024x682.jpeg 1024w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-768x512.jpeg 768w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-1536x1024.jpeg 1536w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-2048x1365.jpeg 2048w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-690x460.jpeg 690w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-540x360.jpeg 540w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-340x227.jpeg 340w, https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-content\/uploads\/2021\/04\/Kobayashi_202011_face-up-124x83.jpeg 124w\" sizes=\"(max-width: 223px) 100vw, 223px\" \/><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h2>Profile<\/h2>\n<table style=\"width: 100%; height: 504px;\" border=\"0\" cellspacing=\"0\" cellpadding=\"3\">\n<tbody>\n<tr style=\"height: 24px;\">\n<td style=\"width: 16%; height: 24px;\" valign=\"top\">Mar. 2003<\/td>\n<td style=\"height: 24px;\" valign=\"top\">B. S., Waseda University<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Mar. 2004<\/td>\n<td style=\"height: 24px;\" valign=\"top\">M. S., Waseda University<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Mar. 2007<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Ph.D. (Science), Waseda University (Prof. H. Nakai)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2006<\/td>\n<td style=\"height: 24px;\" valign=\"top\">JSPS Fellow DC2 (up to Mar. 2007)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2007<\/td>\n<td style=\"height: 24px;\" valign=\"top\">JSPS Fellow PD (up to Mar. 2008)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Oct. 2007<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Visiting Scholar, E\u00f6tv\u00f6s Lor\u00e1nd University in Hungary (up<br \/>\nto\u00a0Dec. 2007)\u00a0(Prof. P.R. Surj\u00e1n)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2008<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Visiting Lecturer, Faculty of Science and Engineering,<br \/>\nWaseda\u00a0University (up to Mar. 2012)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2008<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Research Fellow, Institute for Molecular Science (up to<br \/>\nMar.\u00a02012)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2012<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Assistant Professor, Waseda Institute for Advanced Study,<br \/>\nWaseda University (up to Feb. 2014)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Mar. 2014<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Assistant Professor, Faculty of Science, Hokkaido\u00a0University (up to Jun. 2017)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2014<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Project Faculty, Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University (up to Mar. 2022)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Dec. 2015<\/td>\n<td style=\"height: 24px;\" valign=\"top\">PRESTO Researcher, Japan Science and Technology Agency (up to Mar. 2019)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Jul. 2017<\/td>\n<td style=\"height: 24px;\" valign=\"top\">Lecturer, Faculty of Science, Hokkaido University (up to Oct. 2020)<\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Apr. 2019<\/td>\n<td style=\"height: 24px;\" valign=\"top\"><strong>Concurrent Faculty, WPI-ICReDD, Hokkaido University<\/strong><\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Nov. 2020<\/td>\n<td style=\"height: 24px;\" valign=\"top\"><strong>Associate Professor, Faculty of Science, Hokkaido University<\/strong><\/td>\n<\/tr>\n<tr style=\"height: 24px;\">\n<td style=\"height: 24px;\" valign=\"top\">Oct. 2021<\/td>\n<td style=\"height: 24px;\" valign=\"top\"><strong>Concurrent Faculty, Research Center of Mathematics for Social Creativity (MSC), Research Institute for Electronic Science (RIES), Hokkaido University<\/strong><\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h2>Publications<\/h2>\n<ul class=\"pagelinks\">\n \t<li><a href=\"#mb2022\">2022<\/a><\/li>\n \t<li><a href=\"#mb2021\">2021<\/a><\/li>\n \t<li><a href=\"#mb2020\">2020<\/a><\/li>\n \t<li><a href=\"#mb2019\">2019<\/a><\/li>\n \t<li><a href=\"#mb2018\">2018<\/a><\/li>\n \t<li><a href=\"#mb2017\">2017<\/a><\/li>\n \t<li><a href=\"#mb2016\">2016<\/a><\/li>\n \t<li><a href=\"#mb2015\">2015<\/a><\/li>\n \t<li><a href=\"#mb2014\">2014<\/a><\/li>\n \t<li><a href=\"#mb2013\">2013<\/a><\/li>\n \t<li><a href=\"#mb2012\">2012<\/a><\/li>\n \t<li><a href=\"#mb2011\">2011<\/a><\/li>\n \t<li><a href=\"#mb2010\">2010<\/a><\/li>\n \t<li><a href=\"#mb2009\">2009<\/a><\/li>\n \t<li><a href=\"#mb2008\">2008<\/a><\/li>\n \t<li><a href=\"#mb2007\">2007<\/a><\/li>\n \t<li><a href=\"#mb2006\">2006<\/a><\/li>\n \t<li><a href=\"#mb2005\">2005<\/a><\/li>\n \t<li><a href=\"#mb2004\">2004<\/a><\/li>\n<\/ul>\n<h3 id=\"mb2022\"><a name=\"mb2022\"><\/a>2022<\/h3>\n<table style=\"width: 100%; height: 120px;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">R10.<\/td>\n<td valign=\"top\">&#8220;Divide-and-Conquer Linear-Scaling Quantum Chemical Computations&#8221;<br \/>\nH. Nakai, M. Kobayashi, T. Yoshikawa, J. Seino, Y. Ikabata, and Y. Nishimura, J. Phys. Chem. A (Feature Article), <i>in press<\/i>.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">B7.<\/td>\n<td valign=\"top\">&#8220;Fundamentals of Quantum Chemical Calculation: With Quantum Computing in Mind&#8221; (Japanese)<br \/>\nM. Kobayashi, Practical Application of Quantum Technology and How to Introduce It into R&#038;D (2023, Technical Information Institute), pp. xxx-xxx.<\/td>\n<\/tr>\n<tr>\n<tr>\n<td valign=\"top\">B6.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/www.amazon.co.jp\/dp\/4254252749\" target=\"_blank\" rel=\"noopener noreferrer\">Comprehensive Encyclopedia of Catalysis<\/a>&#8221;<br \/>\nCatalysis Society of Japan, Ed. (coauthored by M. Kobayashi), Asakura Publishing, 2023.<\/td>\n<\/tr>\n<tr>\n<tr>\n<td valign=\"top\">61.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1039\/D2OB00957A\" target=\"_blank\" rel=\"noopener noreferrer\">Ligand Release of Silicon Phthalocyanine Dyes Triggered by X-ray Irradiation<\/a>&#8221;<br \/>\nH. Takakura, S. Matsuhiro, O. Inanami, M. Kobayashi, K. Saita, M. Yamashita, K. Nakajima, M. Suzuki, N. Miyamoto, T. Taketsugu, and M. Ogawa, Org. Biomol. Chem. 20 (36), 7270-7277 (2022).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">60.<\/td>\n<td valign=\"top\"><a href=\"https:\/\/doi.org\/10.1021\/acs.jpcb.2c01639\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Effective Photosensitization in Excited-State Equilibrium: Brilliant Luminescence of TbIII Coordination Polymers Through Ancillary Ligand Modifications&#8221;<\/a><br \/>\nY. Kitagawa, R. Moriake, T. Akama, K. Saitou, K. Aikawa, S. Shoji, K. Fushimi, M. Kobayashi, T. Taketsugu, and Y. Hasegawa,  ChemPlusChem 87 (10), e202200151 (2022) [featured as a <a href=\"https:\/\/doi.org\/10.1002\/cplu.202200235\" target=\"_blank\" rel=\"noopener noreferrer\">front cover article<\/a> (<a href=\"https:\/\/doi.org\/10.1002\/cplu.202200236\" target=\"_blank\" rel=\"noopener noreferrer\">Cover Profile<\/a>)].<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">59.<\/td>\n<td valign=\"top\"><a href=\"https:\/\/doi.org\/10.1021\/acs.jpcb.2c01639\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Asymmetric Lumino-Transformer: Circularly Polarized Luminescence of Chiral Eu(III) Coordination Polymer with Phase-Transition Behavior&#8221;<\/a><br \/>\nM. Tsurui, Y. Kitagawa, S. Shoji, H. Ohmagari, M. Hasegawa, M. Gon, K. Tanaka, M. Kobayashi, T. Taketsugu, K. Fushimi, and Y. Hasegawa,  J. Phys. Chem. B 126 (20), 3799-3807 (2022) [featured as a <a href=\"https:\/\/pubs.acs.org\/toc\/jpcbfk\/126\/20\" target=\"_blank\" rel=\"noopener noreferrer\">cover article<\/a>].<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">58.<\/td>\n<td valign=\"top\">&#8220;Practical electronic ground- and excited-state calculation method for lanthanide complexes based on frozen core potential approximation to 4f electrons&#8221;<br \/>\nM. Kobayashi, Y. Oba, T. Akama, and T. Taketsugu, J. Math. Chem., <i>in press<\/i>.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">57.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1016\/j.jphotochem.2021.113749\" target=\"_blank\" rel=\"noopener noreferrer\">Axial-Ligand-Cleavable Silicon Phthalocyanines Triggered by Near-Infrared Light Toward Design of Photosensitizers for Photoimmunotherapy<\/a>&#8221;<br \/>\nH. Takakura, S. Matsuhiro, M. Kobayashi, Y. Goto, M. Harada, T. Taketsugu, and M. Ogawa, J. Photochem. Photobiol. A Chem. 426, 113749 (2022).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2021\"><a name=\"mb2021\"><\/a>2021<\/h3>\n<table style=\"width: 100%; height: 120px;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">P4.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1109\/EPEC52095.2021.9621698\" target=\"_blank\" rel=\"noopener noreferrer\">Multi-Objective Spatiotemporal Optimization of Transportation and Power Management by Using Multiple Electric Vehicles in Nanogrid Networks<\/a>&#8221;<br \/>\nH. Uchigaito, M. Okamoto, G. Astashkin, Y. Furubayashi, N. Obata, T. Krasienapibal, H. Teramoto, Y. Mizuno, M. Kobayashi, A. Nakamura, T. Komatsuzaki, and T. Takemoto, 2021 IEEE Electrical Power and Energy Conference, 365-372.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">B5.<\/td>\n<td valign=\"top\">&#8220;Application of Quantum Chemical Calculation and Informatics to Catalyst Development&#8221; (Japanese)<br \/>\nM. Kobayashi, Data Preparation for Materials Informatics, Its Analyses, and Application Examples (2021, Technical Information Institute), pp. 401-408.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">B4.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1016\/B978-0-12-822249-2.00011-6\" target=\"_blank\" rel=\"noopener\">Predicting Activity and Activation Factor of Catalytic Reactions Using Machine Learning<\/a>&#8221;<br \/>\nM. Kobayashi, in <a href=\"https:\/\/www.elsevier.com\/books\/computational-and-data-driven-chemistry-using-artificial-intelligence\/akitsu\/978-0-12-822249-2\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Computational and Data-Driven Chemistry Using Artificial Intelligence&#8221;<\/a>, Ed. by T. Akitsu (2021, Elsevier), pp. 217-229.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">56.<\/td>\n<td valign=\"top\">&#8220;Automatic Determination of Buffer Region in Divide-and-Conquer Quantum Chemical Calculations&#8221; (Japanese)<br \/>\nM. Kobayashi, T. Fujimori, and T. Taketsugu, J. Comput. Chem. Jpn. 20 (2), 48-59 (2021).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">55.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1002\/jcc.26486\" target=\"_blank\" rel=\"noopener noreferrer\">Energy-Based Automatic Determination of Buffer Region in the Divide-and-Conquer Second-Order M\u00f8ller-Plesset Perturbation Theory<\/a>&#8221;<br \/>\nT. Fujimori, M. Kobayashi, and T. Taketsugu, J. Comput. Chem. 42 (9), 620-629 (2021).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">54.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1021\/acs.jpca.0c09337\" target=\"_blank\" rel=\"noopener noreferrer\">Coordination Geometrical Effect on LMCT-Depended Energy Transfer Processes of Luminescent Eu(III) complexes<\/a>&#8221;<br \/>\nP.P. Ferreira da Rosa, S. Miyazaki, H. Sakamoto, Y. Kitagawa, K. Miyata, T. Akama, M. Kobayashi, K. Fushimi, K. Onda, T. Taketsugu, and Y. Hasegawa, J. Phys. Chem. A 125 (1), 209-217 (2021) [featured as a <a href=\"https:\/\/pubs.acs.org\/toc\/jpcafh\/125\/1\" target=\"_blank\" rel=\"noopener noreferrer\">cover article<\/a>].<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2020\"><a name=\"mb2020\"><\/a>2020<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">53.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1039\/D0CP05070A\" target=\"_blank\" rel=\"noopener noreferrer\">All-Electron Relativistic Spin-Orbit Multireference Computation to Elucidate the Ground State of CeH<\/a>&#8221;<br \/>\nY. Kondo, Y. Goto, M. Kobayashi, T. Akama, T. Noro, and T. Taketsugu, Phys. Chem. Chem. Phys. 22 (46), 27157-27162 (2020).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">52.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1002\/cplu.202000338\" target=\"_blank\" rel=\"noopener noreferrer\">Theoretical and Experimental Studies on the Near\u2010Infrared Photoreaction Mechanism of a Silicon Phthalocyanine Photoimmunotherapy Dye: Photoinduced Hydrolysis by Radical Anion Generation<\/a>&#8221;<br \/>\nM. Kobayashi, M. Harada, H. Takakura, K. Ando, Y. Goto, T. Tsuneda, M. Ogawa, and T. Taketsugu, ChemPlusChem 85 (9), 1959-1963 (2020)  [featured as a <a href=\"https:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cplu.202000524\" target=\"_blank\" rel=\"noopener noreferrer\">front cover article<\/a> (<a href=\"http:\/\/chemistry-europe.onlinelibrary.wiley.com\/doi\/10.1002\/cplu.202000502\" target=\"_blank\" rel=\"noopener noreferrer\">Conver Profile<\/a>)].<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R10.<\/td>\n<td valign=\"top\">&#8220;Activity and Activation Factor Prediction for Catalytic Reactions Using Machine Learning&#8221; (Japanese)<br \/>\nM. Kobayashi, Material Stage 20 (1), 42-48 (2020).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2019\"><a name=\"mb2019\"><\/a>2019<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">51.<\/td>\n<td valign=\"top\">&#8220;Surface Adsorption Model Calculation Database and Its Application to Activity Prediction of Heterogeneous Catalysts&#8221;<br \/>\nM. Kobayashi, H. Onoda, Y. Kuroda, and T. Taketsugu, J. Comput. Chem. Jpn. 18 (5), 251-253 (2019).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R9.<\/td>\n<td valign=\"top\"><a href=\"https:\/\/www.researchgate.net\/publication\/333339554\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Essence of Hartree-Fock(-Roothaan) method&#8221;<\/a> (Japanese)<br \/>\nM. Kobayashi, Frontier 1 (2), 29-44 (2019).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R8.<\/td>\n<td valign=\"top\">&#8220;Machine Learning Applied to Yield or Activation Factor Prediction for Catalytic Reactions&#8221; (Japanese)<br \/>\nM. Kobayashi, Chemistry and Chemical Industry 72 (5), 422 (2019).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R7.<\/td>\n<td valign=\"top\">&#8220;Analysis and Prediction for Metal Nanocluster Catalyst Systems Using High-Throughput Quantum Chemical Calculation Techniques and Informatics&#8221; (Japanese)<br \/>\nM. Kobayashi, Ensemble 21 (1), 22-28 (2019).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">50.<\/td>\n<td valign=\"top\"><a href=\"https:\/\/doi.org\/10.1021\/acs.jpca.8b08868\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu<sub>13<\/sub>&#8220;<\/a><br \/>\nT. Iwasa, T. Sato, M. Takagi, M. Gao, A. Lyalin, M. Kobayashi, K.-i. Shimizu, S. Maeda, and T. Taketsugu, J. Phys. Chem. A 123 (1), 210-217 (2019).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">49.<\/td>\n<td valign=\"top\"><a href=\"https:\/\/doi.org\/10.1246\/cl.180864\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Dispersion Interaction and Crystal Packing Realize the Ultralong C\u2013C Single Bond: A Theoretical Study on Dispirobis(10-methylacridan) Derivatives&#8221;<\/a><br \/>\nY. Kuroda, M. Kobayashi, and T. Taketsugu, Chem. Lett. 48 (2), 137-139 (2019).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">B3.<\/td>\n<td valign=\"top\"><a href=\"https:\/\/doi.org\/10.1007\/978-981-13-9802-5_6\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Large Scale Quantum Chemical Calculation&#8221;<\/a><br \/>\nK. Ishimura and M. Kobayashi, in <a href=\"https:\/\/doi.org\/10.1007\/978-981-13-9802-5\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;The Art of High Performance Computing for Computational Science, Vol. 2&#8221;<\/a>, Ed. by M. Geshi (Springer), 159-201 (2019).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2018\"><a name=\"mb2018\"><\/a>2018<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">48.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1002\/jcc.25174\" target=\"_blank\" rel=\"noopener noreferrer\">Automated Error Control in Divide-and-Conquer Self-Consistent Field Calculations<\/a>&#8221;<br \/>\nM. Kobayashi, T. Fujimori, and T. Taketsugu, J. Comput. Chem. 38, 909-916 (2018) [featured as a <a href=\"https:\/\/doi.org\/10.1002\/jcc.25233\" target=\"_blank\" rel=\"noopener noreferrer\">cover article<\/a>].<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">47.<\/td>\n<td valign=\"top\">&#8220;<a href=\"https:\/\/doi.org\/10.1002\/jcc.25171\" target=\"_blank\" rel=\"noopener noreferrer\">All-Electron Relativistic Computations on the Low-Lying Electronic States, Bond Length, and Vibrational Frequency of CeF Diatomic Molecule with Spin-Orbit Coupling Effects<\/a>&#8221;<br \/>\nY. Kondo, M. Kobayashi, T. Akama, T. Noro, and T. Taketsugu, J. Comput. Chem. 38, 964-972 (2018).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R6.<\/td>\n<td valign=\"top\">&#8220;Application of Informatics Techniques to Quantum Chemical Calculations of Catalyst and Surface Adsorption Systems&#8221; (Japanese)<br \/>\nM. Kobayashi, Chemical Industry 69, 27-32 (2018).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2017\"><a name=\"mb2017\"><\/a>2017<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">46.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/ejic.201700815\" target=\"_blank\" rel=\"noopener noreferrer\">&#8220;Enhanced Luminescence of Asymmetrical Seven-Coordinate Eu<sup>III<\/sup> Complexes Including LMCT Perturbation&#8221;<\/a><br \/>\nK. Yanagisawa, Y. Kitagawa, T. Nakanishi, T. Seki, T. Akama, M. Kobayashi, T. Taketsugu, H. Ito, K. Fushimi, and Y. Hasegawa, Eur. J. Inorg. Chem. 2017, 3843-3848 (2017).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">B2.<\/td>\n<td valign=\"top\">HPC Technology for Computational Science 2 (Japanese)<br \/>\nM. Geshi (ed.) (coauthored by M. Kobayashi), Osaka University Press, 2017.<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2016\"><a name=\"mb2016\"><\/a>2016<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">45.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1246\/cl.160699\" target=\"_blank\" rel=\"noopener noreferrer\">Divide-and-Conquer Hartree-Fock-Bogoliubov Method and Its Application to Conjugated Diradical Systems<\/a><br \/>\nM. Kobayashi and T. Taketsugu, Chem. Lett. 45, 1268-1270.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">44.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.24419\" target=\"_blank\" rel=\"noopener noreferrer\">Three Pillars for Realizing Quantum Mechanical Molecular Dynamics Simulations of Huge Systems: Divide-and-Conquer, Density Functional Tight-Binding, and Massively Parallel Computation<\/a><br \/>\nH. Nishizawa, Y. Nishimura, M. Kobayashi, S. Irle, and H. Nakai, J. Comput. Chem. 37, 1983-1992 (2016).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R5.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/doi.org\/10.11436\/mssj.18.90\" target=\"_blank\" rel=\"noopener noreferrer\"><i>O<\/i>(<i>N<\/i>) Electronic Structure Calculation Using Divide-and-Conquer (DC) Method and Its Application to MD Simulations<\/a> (Japanese)<br \/>\nM. Kobayashi, Ensemble (Mol. Sim. Soc. Jpn.) 18, 90-94 (2016).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">43.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1246\/cl.151210\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Spin-Orbit Coupling Effects on Low-Lying Electronic States of PtCN\/PtNC and PdCN\/PdNC<\/a><br \/>\nY. Ono, Y. Kondo, M. Kobayashi, and T. Taketsugu, Chem. Lett. 45, 478-480 (2016).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">41.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.molliq.2015.11.040\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Coordination Phenomena of Alkali Metal, Alkaline Earth Metal, and Indium Ions with the 1,3,6-Naphthalenetrisulfonate Ion in Protic and Aprotic Solvents<\/a><br \/>\nX. Chen, M. Hojo, Z. Chen, and M. Kobayashi, J. Mol. Liq. 214, 369-377 (2016).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2015\"><a name=\"mb2015\"><\/a>2015<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">B1.<\/td>\n<td valign=\"top\">An Easy Guide to Quantum Chemistry Calculations, new edition (Japanese)<br \/>\nK. Hirao (supervisor), T. Taketsugu (ed.) (coauthored by M. Kobayashi), Kodansha, 2015.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">42.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.2477\/jccj.2015-0058\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Mechanisms of Ligand Exchange and Ligand Coupling Reactions of Sb and Te Compounds<\/a> (Japanese)<br \/>\nM. Kobayashi, Y. Kuroda, K.-y. Akiba, and T. Taketsugu, J. Comput. Chem. Jpn. 14, 199-200 (2015).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">40.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1246\/bcsj.20150231\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Theoretical Study on the Ligand Coupling Reaction of Hypervalent Pentacoordinate Antimony Compounds<\/a><br \/>\nM. Kobayashi, Y. Kuroda, K.-y. Akiba, and T. Taketsugu, Bull. Chem. Soc. Jpn. 88, 1584-1590 (2015).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">39.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-015-1710-y\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Second-Order M\u00f8ller-Plesset Perturbation (MP2) Theory at Finite Temperature: Relation with Surj\u00e1n&#8217;s Density Matrix MP2 and Its Application to Linear-Scaling Divide-and-Conquer Method<\/a><br \/>\nM. Kobayashi and T. Taketsugu, Theor. Chem. Acc. 134, 107 (2015).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">38.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/ejic.201500820\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Seven-Coordinate Luminophores: Brilliant Luminescence of Lanthanide Complexes with <i>C<\/i><sub>3<i>v<\/i><\/sub> Geometrical Structures<\/a><br \/>\nK. Yanagisawa, T. Nakanishi, Y. Kitagawa, T. Seki, T. Akama, M. Kobayashi, T. Taketsugu, H. Ito, K. Fushimi, and Y. Hasegawa, Eur. J. Inorg. Chem. 2015, 4769-4774 (2015).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2014\"><a name=\"mb2014\"><\/a>2014<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">37.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.molliq.2014.08.005\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Specific Coordination Phenomena of Alkaline Earth Metal Ions with Aromatic Sulfonate Ions in Alcohols and Binary Solvents of Acetonitrile-Alcohols<\/a><br \/>\nX. Chen, K. Ayabe, M. Hojo, Z. Chen, and M. Kobayashi, J. Mol. Liq. 199, 445-453 (2014).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">36.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/om401230r\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Gradient of Molecular Hartree-Fock-Bogoliubov Energy with a Linear Combination of Atomic Orbital Quasiparticle Wave Functions<\/a><br \/>\nM. Kobayashi, J. Chem. Phys. 140 (8), 084115 (2014).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">35.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/om401230r\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Theoretical Study on the Ligand Exchange Reactions of Hypervalent Antimony and Tellurium Compounds&#8221;<\/a><br \/>\nM. Kobayashi and K.-y. Akiba, Organometallics 33 (5), 1218-1226 (2014).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">34.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1246\/bcsj.20130176\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Conductometric and UV-Visible Spectroscopic Studies on the Strong Association between Polysulfonic or Dicarboxylic Acids and Their Conjugate Anions in Acetonitrile<\/a><br \/>\nM. Hojo, Y. Kondo, K. Zei, K. Okamura, Z. Chen, and M. Kobayashi, Bull. Chem. Soc. Jpn. 87 (1), 98-109 (2014).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2013\"><a name=\"mb2013\"><\/a>2013<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">33.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/jp401819d\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Novel Approach to Excited-State Calculations of Large Molecules Based on Divide-and-Conquer Method: Application to Photoactive Yellow Protein&#8221;<\/a><br \/>\nT. Yoshikawa, M. Kobayashi, A. Fujii, and H. Nakai, J. Phys. Chem. B 117 (18), 5565-5573 (2013).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">32.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.4776228\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;An Effective Energy Gradient Expression for Divide-and-Conquer Second-Order M\u00f8ller-Plesset Perturbation Theory&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, J. Chem. Phys. 138 (4), 044102 (2013).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">30.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1246\/bcsj.20120165\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Divide-and-Conquer Electronic-Structure Study on the Mechanism of the West Nile Virus NS3 Protease Inhibitor&#8221;<\/a><br \/>\nP. Saparpakorn, M. Kobayashi, and H. Nakai, Bull. Chem. Soc. Jpn. 86 (1), 67-74 (2013).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">29.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.24164\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Divide-and-Conquer-Based Quantum Chemical Study for Interaction between HIV-1 Reverse Transcriptase and MK-4965 Inhibitor&#8221;<\/a><br \/>\nP. Saparpakorn, M. Kobayashi, S. Hannongbua, and H. Nakai, Int. J. Quantum Chem. 113 (4), 510-517 (2013).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">28.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.24093\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Divide-and-Conquer-Based Symmetry Adapted Cluster Method: Synergistic Effect of Subsystem Fragmentation and Configuration Selection&#8221;<\/a><br \/>\nT. Yoshikawa, M. Kobayashi, and H. Nakai, Int. J. Quantum Chem. 113 (3), 218-223 (2013).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">26.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.24045\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Accelerating Convergence in the Antisymmetric Product of Strongly Orthogonal Geminals Method&#8221;<\/a><br \/>\nM. Tarumi, M. Kobayashi, and H. Nakai, Int. J. Quantum Chem. 113 (3), 239-244 (2013).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2012\"><a name=\"mb2012\"><\/a>2012<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">P3.<\/td>\n<td valign=\"top\">&#8220;Development of Divide-and-Conquer Quantum Chemical Code for Biomolecules and Nano Materials&#8221;<br \/>\nM. Kobayashi, P. Saparpakorn, and H. Nakai, 31st Annual Conference of Japan Society for Simulation Technology, 330-333 (2012).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R4.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1039\/C2CP40153C\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;How Does It Become Possible to Treat Delocalized and\/or Open-Shell Systems in Fragmentation-Based Linear-Scaling Electronic Structure Calculation? The Case of the Divide-and-Conquer Method&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, Phys. Chem. Chem. Phys. 14, 7629-7639 (2012).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">31.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/ct300789a\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Generalized M\u00f8ller\u2013Plesset Multiconfiguration Perturbation Theory Applied to an Open-Shell Antisymmetric Product of Strongly Orthogonal Geminals Reference Wave Function&#8221;<\/a><br \/>\nM. Tarumi, M. Kobayashi, and H. Nakai, J. Chem. Theory Comput. 8 (11), 4330-4335 (2012).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">27.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.3687341\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Dynamic Hyperpolarizability Calculations of Large Systems: The Linear-Scaling Divide-and-Conquer Approach&#8221;<\/a><br \/>\nM. Kobayashi, T. Touma, and H. Nakai, J. Chem. Phys. 136 (8), 084108 (2012).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2011\"><a name=\"mb2011\"><\/a>2011<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">P2.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.procs.2011.04.122\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Linear-Scaling Electronic Structure Calculation Program Based on Divide-and-Conquer Method&#8221;<\/a><br \/>\nH. Nakai and M. Kobayashi, Proc. Comput. Sci. 4, 1145-1150 (2011).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R3.<\/td>\n<td valign=\"top\">Divide-and-Conquer Quantum Chemical Calculation Method for Nano-Science (Japanese)<br \/>\nM. Kobayashi and H. Nakai, Bull. Nano Sci. Tech. 9 (2), 85-89 (2011).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">R2.<\/td>\n<td valign=\"top\">Divide-and-Conquer Approaches to Quantum Chemistry: Theory and Implementation<br \/>\nM. Kobayashi and H. Nakai, in <i>Linear-Scaling Techniques in Computational Chemistry and Physics: Methods and Applications<\/i>, Ed. by M.G. Papadopoulos, R. Zalesny, P.G. Mezey, and J. Leszczynski (2011, Springer), pp.97-127.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">25.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-011-1008-7\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Linear-Scaling Divide-and-Conquer Second-Order M\u00f8ller-Plesset Perturbation Calculation for Open-Shell Systems: Implementation and Application&#8221;<\/a><br \/>\nT. Yoshikawa, M. Kobayashi, and H. Nakai, Theor. Chem. Acc. 130 (2-3), 411-417 (2011).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">24.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1007\/s00214-011-0964-2\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Finite-Field Evaluation of Static (Hyper)polarizabilities Based on the Linear-Scaling Divide-and-Conquer Method&#8221;<\/a><br \/>\nT. Touma, M. Kobayashi, and H. Nakai, Theor. Chem. Acc. 130 (4-6), 701-709 (2011).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">23.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.21855\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Two-Level Hierarchical Parallelization of Second-Order M\u00f8ller-Plesset Perturbation Calculations in Divide-and-Conquer Method&#8221;<\/a><br \/>\nM. Katouda, M. Kobayashi, H. Nakai, and S. Nagase, J. Comput. Chem. 32 (13), 2756-2764 (2011).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">22.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.3524337\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Reconsidering an Analytical Gradient Expression within a Divide-and-Conquer Self-Consistent Field Approach: Exact Formula and Its Approximate Treatment&#8221;<\/a><br \/>\nM. Kobayashi, T. Kunisada, T. Akama, D. Sakura, and H. Nakai, J. Chem. Phys. 134 (3), 034105 (2011).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3><\/h3>\n<h3 id=\"mb2010\"><a name=\"mb2010\"><\/a>2010<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">21.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2010.10.005\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Divide-and-Conquer Self-Consistent Field Calculation for Open-Shell Systems: Implementation and Application&#8221;<\/a><br \/>\nM. Kobayashi, T. Yoshikawa, and H. Nakai, Chem. Phys. Lett. 500 (1-3), 172-177 (2010).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">20.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/ct1001939\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Generalized M\u00f8ller-Plesset Partitioning in Multiconfiguration Perturbation Theory&#8221;<\/a><br \/>\nM. Kobayashi, \u00c1. Szabados, H. Nakai, and P. R. Surj\u00e1n, J. Chem. Theory Comput. 6 (7), 2024-2033 (2010).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">19.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2009.12.043\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Time-Dependent Hartree-Fock Frequency-Dependent Polarizability Calculation Applied to Divide-and-Conquer Electronic Structure Method&#8221;<\/a><br \/>\nT. Touma, M. Kobayashi, and H. Nakai, Chem. Phys. Lett. 485 (1-3), 247-252 (2010).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">18.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/je900923c\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Observation by UV-Visible and NMR Spectroscopy and Theoretical Confirmation of 4-Isopropyltropolonate Ion, 4-Isopropyltropolone (Hinokitiol), and Protonated 4-Isopropyltropolone in Acetonitrile&#8221;<\/a><br \/>\nM. Hojo, T. Ueda, M. Ike, K. Okamura, T. Sugiyama, M. Kobayashi, and H. Nakai, J. Chem. Eng. Data 55 (5), 1986-1989 (2010).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n<h3 id=\"mb2009\"><a name=\"mb2009\"><\/a>2009<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">R1.<\/td>\n<td valign=\"top\">Electronic Structure Calculations of Giant Molecules Expand the Field of Chemistry (Japanese)<br \/>\nM. Kobayashi and H. Nakai, Kagaku (Chemistry) 64 (1), 12-16 (2009).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">17.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.3211119\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Divide-and-Conquer-Based Linear-Scaling Approach for Traditional and Renormalized Coupled Cluster Methods with Single, Double, and Noniterative Triple Excitations&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, J. Chem. Phys. 131 (11), 114108 (2009).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">16.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.22229\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Electronic Temperature in Divide-and-Conquer Electronic Structure Calculation Revisited: Assessment and Improvement of Self-Consistent Field Convergence&#8221;<\/a><br \/>\nT. Akama, M. Kobayashi, and H. Nakai, Int. J. Quantum Chem. 109 (12), 2706-2713 (2009).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">15.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/qua.22111\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Dual-Level Hierarchical Scheme for Linear-Scaling Divide-and-Conquer Correlation Theory&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, Int. J. Quantum Chem. 109 (10), 2227-2237 (2009).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">14.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/joi.jlc.jst.go.jp\/JST.JSTAGE\/jccj\/H2027\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">Implementation of Divide-and-Conquer (DC) Electronic Structure Code to GAMESS Program Package<\/a> (Japanese)<br \/>\nM. Kobayashi, T. Akama, H. Nakai, J. Comput. Chem. Jpn. 8 (1), 1-12 (2009).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">12.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.molliq.2008.06.004\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;UV-Visble, <sup>1<\/sup>H and <sup>13<\/sup>C NMR Spectroscopic Studies on the Interaction between Protons or Alkaline Earth Metal Ions and the Benzoate Ion in Acetonitrile&#8221;<\/a><br \/>\nM. Hojo, T. Ueda, M. Ike, M. Kobayashi, and H. Nakai, J. Mol. Liq. 145 (3), 152-157 (2009).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2008\"><a name=\"mb2008\"><\/a>2008<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">P1.<\/td>\n<td valign=\"top\">Development of Linear-Scaling Techniques Based on Divide-and-Conquer Method (Japanese)<br \/>\nH. Nakai, M. Kobayashi, and T. Akama, Bull. Soc. Discrete Var. X\u03b1 21 (1,2), 47-54 (2008).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">13.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2956490\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Extension of Linear-Scaling Divide-and-Conquer-Based Correlation Method to Coupled Cluster Theory with Singles and Doubles Excitations&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, J. Chem. Phys. 129 (4), 044103 (2008).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">11.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.20969\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Application of the Sakurai-Sugiura Projection Method to Core-Excited-State Calculation by Time-Dependent Density Functional Theory&#8221;<\/a><br \/>\nT. Tsuchimochi, M. Kobayashi, A. Nakata, Y. Imamura, and H. Nakai, J. Comput. Chem. 29 (14), 2311-2316 (2008).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2007\"><a name=\"mb2007\"><\/a>2007<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">10.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1080\/00268970701642267\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Is the Divide-and-Conquer Hartree-Fock Method Valid for Calculations of Delocalized Systems?&#8221;<\/a><br \/>\nT. Akama, A. Fujii, M. Kobayashi, and H. Nakai, Mol. Phys. 105 (19-22), 2799-2804 (2007).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">9.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2761878\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Alternative Linear-Scaling Methodology for the Second-Order M\u00f8ller-Plesset Perturbation Calculation Based on the Divide-and-Conquer Method&#8221;<\/a><br \/>\nM. Kobayashi, Y. Imamura, and H. Nakai, J. Chem. Phys. 127 (7), 074103 (2007).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">8.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1002\/jcc.20707\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Implementation of Divide-and-Conquer Method Including Hartree-Fock Exchange Interaction&#8221;<\/a><br \/>\nT. Akama, M. Kobayashi, and H. Nakai, J. Comput. Chem. 28 (12), 2003-2012 (2007).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">7.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1021\/jp066756n\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;UV-Visible and <sup>1<\/sup>H or <sup>13<\/sup>C NMR Spectroscopic Studies on the Specific Interaction between Lithium Ions and the Anion from Tropolone or 4-Isopropyltropolone (Hinokitiol) and on the Formation of Protonated Tropolones in Acetonitrile or Other Solvents&#8221;<\/a><br \/>\nM. Hojo, T. Ueda, T. Inoue, M. Ike, M. Kobayashi, and H. Nakai, J. Phys. Chem. B 111 (7), 1759-1768 (2007).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">6.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2006.11.054\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Hybrid Treatment Combining the Translation- and Rotation-Free Nuclear Orbital Plus Molecular Orbital Theory with Generator Coordinate Method: TRF-NOMO\/GCM&#8221;<\/a><br \/>\nK. Sodeyama, H. Nishizawa, M. Hoshino, M. Kobayashi, and H. Nakai, Chem. Phys. Lett. 433 (4-6), 409-415 (2007).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2006\"><a name=\"mb2006\"><\/a>2006<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">5.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.2388261\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Second-Order M\u00f8ller-Plesset Perturbation Energy Obtained from Divide-and-Conquer Hartree-Fock Density Matrix&#8221;<\/a><br \/>\nM. Kobayashi, T. Akama, and H. Nakai, J. Chem. Phys. 125 (20), 204106 (2006).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">4.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2005.12.088\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Implementation of Surj\u00e1n&#8217;s Density Matrix Formulae for Calculating Second-Order M\u00f8ller-Plesset Energy&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, Chem. Phys. Lett. 420 (1-3), 250-255 (2006).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2005\"><a name=\"mb2005\"><\/a>2005<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">3.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1142\/S0219633605001374\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;Practical Performance Assessment of Accompanying Coordinate Expansion Recurrence Relation Algorithm for Computation of Electron Repulsion Integrals&#8221;<\/a><br \/>\nM. Katouda, M. Kobayashi, H. Nakai, and S. Nagase, J. Theor. Comput. Chem. 4 (1), 139-149 (2005).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h3 id=\"mb2004\"><a name=\"mb2004\"><\/a>2004<\/h3>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"8\">\n<tbody>\n<tr>\n<td valign=\"top\">2.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1063\/1.1778712\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;New Recurrence Relations for the Rapid Evaluation of Electron Repulsion Integrals Based on the Accompanying Coordinate Expansion Formula&#8221;<\/a><br \/>\nM. Kobayashi and H. Nakai, J. Chem. Phys. 121 (9), 4050-4058 (2004).<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">1.<\/td>\n<td valign=\"top\"><a href=\"http:\/\/dx.doi.org\/10.1016\/j.cplett.2004.02.070\" target=\"_blank\" rel=\"nofollow noopener noreferrer\">&#8220;New Algorithm for the Rapid Evaluation of Electron Repulsion Integrals: Elementary Basis Algorithm&#8221;<\/a><br \/>\nH. Nakai and M. Kobayashi, Chem. Phys. Lett. 388 (1-3), 50-54 (2004).<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<h2>Awards<\/h2>\n<table style=\"width: 100%;\" border=\"0\" cellspacing=\"0\" cellpadding=\"5\">\n<tbody>\n<tr>\n<td valign=\"top\" width=\"16%\">Sep.2008<\/td>\n<td valign=\"top\">Poster Prize, WATOC 2008 (Eighth Triennial Congress of World Association of Theoretical and Computational Chemists), Sydney, Australia.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">May 2009<\/td>\n<td valign=\"top\">Yoshida Award (Excellent Paper Award), Society of Computer Chemistry, Japan.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">May 2011<\/td>\n<td valign=\"top\">Fellowships to Young Researchers, The Association for the Progress of New Chemistry.<\/td>\n<\/tr>\n<tr>\n<td valign=\"top\">Jan.2012<\/td>\n<td valign=\"top\">Poster Prize, 2nd CMSI Workshop, Sendai.<\/td>\n<\/tr>\n<\/tbody>\n<\/table>\n&nbsp;<br \/>\n<br \/>\n<a class=\"blank\" href=\"https:\/\/sites.google.com\/site\/chemistmasatokobayashi\/\" target=\"_blank\" rel=\"noopener noreferrer\">Read more<\/a><\/p>\n","protected":false},"excerpt":{"rendered":"<p>Associate Professor, Quantum Chemistry Laboratory, Department of Chemistry, Faculty of Science, Hokkaido Unive [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":30,"menu_order":10,"comment_status":"open","ping_status":"closed","template":"","meta":[],"_links":{"self":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/pages\/298"}],"collection":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/comments?post=298"}],"version-history":[{"count":33,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/pages\/298\/revisions"}],"predecessor-version":[{"id":1553,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/pages\/298\/revisions\/1553"}],"up":[{"embeddable":true,"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/pages\/30"}],"wp:attachment":[{"href":"https:\/\/wwwchem.sci.hokudai.ac.jp\/~qc\/en\/wp-json\/wp\/v2\/media?parent=298"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}