- Address
- 305-0047 茨城県つくば市千現1-2-1 [アクセス]
研究内容
- 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
この機能は所内限定です。
この機能は所内限定です。