2024/10/17	Mr. Motohiro Ito (Former PD student, Present: NTN Co.), Dr. Yuichi Suzuki (Former PD)'s paper 「Mechanism of Hydrogen Generation by Decomposition of Lubricating Oils: Effect of Lubricating Oils on Hydrogen Brittle Flaking」has been accepted in Tribology Online (IF:1.2). Congratulations!
2024/09/18	Mr. Kanasato (D3) has received his doctorate (shortened completion). His dissertation title is “Theoretical Study on Microscopic Mechanism of Hf-Pyridyl Amido-Catalyzed Alkene Polymerization (Japanese title: (Pyridylamido)Hf触媒によるアルケン重合反応の微視的機構に関する理論的研究)”. Congratulations!
2024/07/18	Dr. Yuichi Tanaka(PD), Dr. Taichi Inagaki (Former PD (Prof.(Keio U.)))'s paper 「Electrode Potential Effect on the Structures, Properties, and Formation Process of SEI Film in Lithium-Ion Batteries: Red Moon Analysis」has been accepted in The Journal of Physical Chemistry C (IF:4.189). Congratulations!
2024/05/24	Mr. Kanesato(D3), Mr. Yasoshima(Former MC)'s paper 「Atomistic Simulation of Hf-Pyridyl Amido-Catalyzed Chain Transfer Alkene Polymerization Reaction and Its Machine Learning for Extraction of Essential Descriptors: Effect of Microscopic Steric Hindrance on the Monomer Insertion Process」(Cover art)has been accepted in The Journal of Physical Chemistry B (IF:3.466). Congratulations!
2024/04/01	An invited review article 「The Computational Molecular Technology for Complex Reaction Systems: The Red Moon Approach」has been accepted in WIREs Computational Molecular Science (IF:16.8). Thank you very much!
2024/01/19	Ms. Yotsuya(M2), Ms. Miho Tanaka(Former MC), Dr. Kitamura (Former PD (Prof. Shizuoka U.)'s paper 「Histidine Protonation States Regulate the State Transition from R State Hemoglobin」(Cover art)has been accepted in The Journal of Physical Chemistry B (IF:3.466). Congratulations!
2023/09/08	Ms. Yotsuya (M2) was awarded the Poster Prize by HPC Systems Inc. at TACC2023 in Sapporo. Congratulations!
2023/08/21	Mr. Yasoshima(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 accepted 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	StudyCamp2022 (2022 Workshop on Multiscale Simulation of Complex Reacting Systems) was held in person.
2023/01/20	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	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	Dr. Misawa(Former DC graduate student), Dr. Matsumoto(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	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	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!