- Address
- 305-0047 茨城県つくば市千現1-2-1 [アクセス]
[論文] | [書籍] | [会議録] | [口頭発表] | [その他の文献] | [公開特許出願]
論文 TSV
2024
- Aaditya Manjanath, Ryoji Sahara, Yoshiyuki Kawazoe, Kaoru Ohno. Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics Simulation of Nickel-Atom Aided Photolysis of Methane to Produce a Hydrogen Molecule. Nanomaterials. 14 [22] (2024) 1775 10.3390/nano14221775 Open Access
- Aaditya Manjanath, Ryoji Sahara, Kaoru Ohno, Yoshiyuki Kawazoe. Non-adiabatic excited-state time-dependent GW molecular dynamics (TDGW) satisfying extended Koopmans’ theorem: An accurate description of methane photolysis. The Journal of Chemical Physics. 160 [18] (2024) 184102 10.1063/5.0202590
書籍 TSV
会議録 TSV
口頭発表 TSV
2024
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time-dependent GW molecular dynamics for an accurate mechanistic description of the dynamics of chemical reactions. The 10th International Symposium on Surface Science. 2024
- MANJANATH, Aaditya. An atomic level deep dive of chemical reactions. Introduction to Scientific Research. 2024 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Non-adiabatic excited-state time-dependent GW molecular dynamics for an accurate description of chemical reactions. 39th Symposium on Chemical Kinetics and Dynamics 第39回化学反応討論会. 2024
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Non-adiabatic excited-state time-dependent GW molecular dynamics for an accurate description of chemical reactions. Nano Conference 2024（ナノ学会 第22回大会）. 2024
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time-dependent GW molecular dynamics for an accurate mechanistic description of the dynamics of chemical reactions. American Physical Society March Meeting. 2024
- MANJANATH, Aaditya, FAJICULAY Erickson, SAHARA, Ryoji, HSU Chao-Ping. Memory-efficient incremental kernel ridge regression with data chunking. American Physical Society March Meeting. 2024
2023
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Probing chemical reaction dynamics through excited-state time-dependent GW simulations. NIMS Award Symposium 2023. 2023
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Probing chemical reaction dynamics through excited-state time-dependent GW simulations. 5th Congress of the Theory and Applications of Computational Chemistry (TACC2023). 2023
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time Dependent GW Simulation of Chemical Reactions. 11th International Conference on Materials for Advanced Technologies (ICMAT2023). 2023
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Probing chemical reaction dynamics through excited-state time-dependent GW simulations. ナノ学会第21回大会. 2023
2022
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Probing chemical reaction dynamics through excited-state time-dependent GW simulations. 13th Annual ISAJ Symposium Frontiers of Materials, Life & Earth Sciences and Beyond. 2022 招待講演
その他の文献 TSV
2024
- MANJANATH, Aaditya. An atomistic deep dive into chemical reactions. Indian Scientists' Association in Japan Newsletter. 9 [2] (2024) 4-6