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- 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
2026
- Aaditya Manjanath, David Casanova, Ryoji Sahara, Chao‐Ping Hsu. Localized Molecular Orbitals for Single Excitation Theories. Journal of Computational Chemistry. 47 [1] (2026) e70293 10.1002/jcc.70293
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 Open Access
書籍 TSV
会議録 TSV
口頭発表 TSV
2026
- SAHARA, Ryoji, SAENGDEEJING, Arkapol, MANJANATH, Aaditya, DAHULE, Rohit Sanjay, Kyosuke Ueda, Takayuki Narushima, Yoko Yamabe-Mitarai, Kaoru Ohno, Yoshiyuki Kawazoe. Theoretical design of structural materials. The 44th Samahang Pisika ng Pilipinas (SPP) Physics Conference and Annual Meeting. 2026 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Revisiting the ring-opening mechanisms of oxirane using time-dependent GW molecular dynamics. American Physical Society Global Physics Summit. 2026
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time-dependent GW molecular dynamics: A new possible paradigm for accurately traversing the excited-state dynamical landscape. IIT Hyderabad Materials Science & Metallurgical Engineering Departmental Seminar. 2026 招待講演
- SAHARA, Ryoji, SAENGDEEJING, Arkapol, MANJANATH, Aaditya, DAHULE, Rohit Sanjay. A multi-scale modelling without empirical parameter to design structural materials. Materials Science and Metallurgical Engineering Special Seminar. 2026 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time-dependent GW molecular dynamics: A new possible paradigm for accurately traversing the excited-state dynamical landscape. Asian Consortium on Computational Materials Science 4th International Conference on Materials Genome (ACCMS-ICMG-IV). 2026 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, 大野 かおる, KAWAZOE Yoshiyuki. Time-Dependent GW (TDGW) Molecular Dynamics: A New Possible Paradigm for Accurately Traversing The Excited-State Dynamical Landscape. 15th SmoleQ Greeting Seminar. 2026 招待講演
2025
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Non-Adiabatic Excited-State Time-Dependent GW (TDGW) Molecular Dynamics: A New Possible Paradigm for Accurately Traversing The Excited-State Dynamical Landscape. The University of Tokyo ISSP Theory Seminar. 2025 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, 大野 かおる, KAWAZOE Yoshiyuki. Time-Dependent GW Molecular Dynamics: A New Possible Paradigm for Accurately Traversing The Excited-State Dynamical Landscape. Materials Development Cafe #6 (材料開発カフェ#6). 2025 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, 大野 かおる, KAWAZOE Yoshiyuki. Time-Dependent GW Molecular Dynamics: A New Possible Paradigm for Accurately Traversing The Excited-State Dynamical Landscape. ASIAN-26 (The 26th Asian Workshop on First-Principles Electronic Structure Calculations). 2025
- KAWAZOE Yoshiyuki, 大野 かおる, Mizuseki Hiroshi, SAHARA Ryoji, MANJANATH Aaditya, Vannajan Sanghiran Lee. TOMBO-TDGW法による電子励起状態経由DNA内原子組み替え過程追跡. 第12回「富岳」を中核とする HPCI システム利用研究課題 成果報告会. 2025
- MANJANATH, Aaditya, ZAKARIA Muhammad, LEE Vannajan, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time-dependent GW molecular dynamics – a new possible paradigm for an accurate description of dynamics of photochemical reactions. The 11th General Conference of the Asian Consortium on Computational Materials Science (ACCMS-11). 2025 招待講演
- MANJANATH, Aaditya. Non-adiabatic excited-state time-dependent GW molecular dynamics satisfying extended Koopmans' theorem. The 11th General Conference of the Asian Consortium on Computational Materials Science TOMBO Workshop. 2025 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Non-adiabatic excited-state time-dependent GW molecular dynamics satisfying extended Koopmans' theorem. Material Science: Modeling & Design in Action. 2025
- MANJANATH, Aaditya. Non-adiabatic excited-state time-dependent GW molecular dynamics satisfying extended Koopmans' theorem. DDCoMS-PCoMS-RISME Computational Materials Science Seminar Series 2024 “TOMBO Seminar: Introduction, Examples, and Hands-On 2025 March. 2025 招待講演
- MANJANATH, Aaditya, SAHARA, Ryoji, KAWAZOE Yoshiyuki, OHNO Kaoru. Time-dependent GW (TDGW) molecular dynamics simulation of nickel-atom aided photolysis of methane. APS Global Physics Summit. 2025
- MANJANATH, Aaditya, SAHARA, Ryoji, OHNO Kaoru, KAWAZOE Yoshiyuki. Time-dependent GW molecular dynamics – a new possible paradigm for an accurate description of dynamics of chemical reactions. IIT Hyderabad Materials Science & Metallurgical Engineering Departmental Seminar. 2025 招待講演
2024
- SAHARA, Ryoji, MANJANATH, Aaditya, Kaoru Ohno, Yoshiyuki Kawazoe. Non-adiabatic Excited-state Time-dependent GW Molecular Dynamics (TDGW) Simulation for Photolysis of Methane. UM Global Academic Symposium 2024. 2024 招待講演
- 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