2023/09/08 Ms. Yotsuya (M2) was awarded the Poster Prize by HPC Systems Inc. at TACC2023 in Sapporo. Congratulations!
2023/08/21
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Mr. Yasoahima(Former MC), Mr. Kanesato(D2)'s paper 「Atomistic Chemical Elucidation of the Higher-Rate Reaction Mechanism in Hf-Pyridyl Amido-Catalyzed Copolymerization of Ethene and 1-Octene: Application of Red Moon Simulation with Polymer Propagation Diagrams」has been acceped in The Journal of Physical Chemistry B (IF:3.466). Congratulations!
2023/05/31 Mr. Kanesato (D2) was awarded the Excellent Poster Award at the 25rd Theoretical Chemistry Symposium (online). Congratulations!
2023/03/06
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StudyCamp2022 (2022 Workshop on Multiscale Simulation of Complex Reacting Systems) was held in person.
2023/01/20
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Dr. Bouibes(Former PD), Ms. Nisrine(D2)'s paper 「Microscopic Analysis of Mechanical Stability of SEI Layer Structure Depending on FEC Additive Concentration in Na-ion Batteries: Maximum Appearance in Vickers Hardness at the Lower FEC Concentration」has been acceped in ACS Omega(IF:3.512). Congratulations!
2023/01/18
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Dr. Misawa(Former DC graduate student), Dr. Matumoto(Former DC graduate student), Dr. Suzuki(Former PD)'s paper 「(Pyridylamido)Hf(IV)-catalyzed 1-octene polymerization reaction interwoven with the structural dynamics of the ion pair active species: Bridging from microscopic simulation to chemical kinetics with the Red Moon method」has been selected for Supplementary Journal Cover of The Journal of Physical Chemistry B (IF:3.146). Congratulations!
2023/01/12
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Dr. Misawa(Former DC graduate student), Dr. Matumoto(Former DC graduate student), Dr. Suzuki(Former PD)'s paper 「(Pyridylamido)Hf(IV)-catalyzed 1-octene polymerization reaction interwoven with the structural dynamics of the ion pair active species: Bridging from microscopic simulation to chemical kinetics with the Red Moon method」has been accepted in The Journal of Physical Chemistry B (IF:3.146).Congratulations!
2022/12/28 Dr. Rap(D3) was awarded Ph.D. The paper title is 「Theoretical Study on Tacticity Control in Propagation Process of Radical Polymerization」. Congratulations!
2022/09/19 Prof. Nagaoka was awarded the 13th(2022) Japan Society for Molecular Science's Award. Congratulations! Award Achievement is 「Pioneering Molecular Theory of Complex Chemical Systems and Deepening Molecular Science」
2022/06/23
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Mr. Rao Zizhen (D3), Prof. Takayanagi (Current Prof. at Shiga University)'s paper 「 Verification for Temperature Dependence of Tacticity in the Polystyrene Radical Polymerization with the Combination of Reaction Pathway Analysis and Red Moon Methodology 」 has been accepted in The Journal of Physical Chemistry B (2022) (IF: 2.991). Congratulations!
2022/04/10
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Dr. Carlos, Prof. Kitamura (Shizuoka University)'s paper 「Theoretical Prediction of pH-dependent Electronic Spectra in Aqueous Solution: A Combinational Application of QM/MM Calculations and Constant-pH Simulations with Configuration-Selection Scheme」 has been accepted in Chemical Physics Letters, 798, 139624 (2022) (IF: 2.328). Congratulations!
2022/03/04 Ms. Haruka Yotsuya (B4) received the 2021 Nagoya University President's Award. Congratulations!