HOME > Profile > MANJANATH, Aaditya
- Address
- 305-0047 1-2-1 Sengen Tsukuba Ibaraki JAPAN [Access]
Research
- Keywords
Simulations, theory development, ab initio, DFT, TDDFT, TDGW, computational materials science, computational chemistry, materials science, quantum chemistry
Code development, density functional theory (DFT), quantum chemistry, excited-state linear- response (LR) time-dependent density functional theory (TDDFT), excited-state dynamics using real-time (RT) TDDFT and state-of-the-art TDGW, excitation energy transfer processes, electron transfer processes, charge transfer excitons, ab initio calculations, thermal transport, lattice dynamics, thermo- electrics, two-dimensional (2D) materials and defects on these materials, cement chemistry
PublicationsNIMS affiliated publications since 2004.
Research papers
- 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
Presentations
- 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 Invited
- 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 Invited
- 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 Invited
Misc
- MANJANATH, Aaditya. An atomistic deep dive into chemical reactions. Indian Scientists' Association in Japan Newsletter. 9 [2] (2024) 4-6
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この機能は所内限定です。