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Density-functional tight binding-based ensemble density functional theory using spin-restricted Kohn-Sham scheme: developments and applications File File

Lee, In Seong

Thesis Issue Date2022-02 View30
Development of Efficient Correlated Electron-Nuclear Dynamics Based on Exact Factorization and Machine Learning File File

Ha, Jongkwon

Thesis Issue Date2022-08 View21
MACHINE LEARNING - BASED EXCITED STATE MOLECULAR DYNAMICS File File

Kim, Kicheol

Thesis Issue Date2019-08 View36
Machine learning based multiscale framework: From target-specific molecular design to real-time simulations File

Moon, Sung Wook

Thesis Issue Date2025-02 View13
Spatial distribution modulation of mixed building blocks in metal-organic frameworks

Jeong, Seok , Seong, Junmo , Moon, Sung Wook , Lim, Jaewoong , Baek, Seung Bin , Min, Seung Kyu , Lah, Myoung Soo

Conference Paper Issue Date2022-06-24 View23
Temperature driven spatial distribution design of mixed building blocks in metal - organic fram

Seong, Junmo , Min, Seung Kyu , Lah, Myoung Soo

Conference Paper Issue Date2022-04-14 View18
Theoretical and Computational Description of Excited-state Phenomena in Condensed Phase File File

Han, Daeho

Thesis Issue Date2023-08 View63
Theoretical and computational study of excitonic coupling, exciton dynamics, and photochemical reactions File

Kim, Tae In

Thesis Issue Date2024-02 View57
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