| 2024-01 | Effect of substituting donors on the hole mobility of hole transporting materials in perovskite solar cells: a DFT study | Rashid, Md Al Mamunur; Min, Sein; Namgoong, Sung Keon; Jeong, Keunhong |
| 2023-09 | Excited-state intramolecular proton transfer in 10-hydroxybenzoquinoline, 1-hydroxyanthraquinone, methyl salicylate and 4-methyl-2,6-diformyl phenol: a QM/MM-MD study | Rashid, Md Al Mamunur; Acter, Thamina; Uddin, Nizam |
| 2023-12 | Identifying the acidic or basic behavior of surface water: a QM/MM-MD study | Rashid, Md Al Mamunur; Rahman, Mofizur; Acter, Thamina; Uddin, Nizam |
| 2024-02 | Integrating experimental and computational approaches for deep eutectic solvent-catalyzed glycolysis of post-consumer polyethylene terephthalate | Ha, Geon-Soo; Rashid, Md Al Mamunur; Oh, Da Hae; Ha, Jeong-Myeong; Yoo, Chun-Jae; Jeon, Byong-Hun; Koo, Bonwook; Jeong, Keunhong; Kim, Kwang Ho |
| 2024-01 | Li+-Li+ and Na+-Li+ ion pairs in aqueous solution | Rashid, Md Al Mamunur; Acter, Thamina; Uddin, Nizam |
| 2024-06 | Machine Learning Approach for Predicting the Hole Mobility of the Perovskite Solar Cells | Rashid, Md Al Mamunur; Lee, Seul; Kim, Kwang Ho; Kim, Jaeoh; Jeong, Keunhong |
| 2023-12 | The solvation dynamics of CO2 by quantum mechanical molecular dynamics | Rashid, Md Al Mamunur; Acter, Thamina; Uddin, Nizam |
