| 2016-08-31 | A comparative first-principles study of the lithiation, sodiation, and magnesiation of black phosphorus for Li-, Na-, and Mg-ion batteries | Hembram, K. P. S. S.; Jung, Hyun; Yeo, Byung Chul; Pai, Sung Jin; Lee, Heon Ju; Lee, Kwang-Ryeol; Han, Sang Soo |
| 2018-08-08 | Activity, Selectivity, and Durability of Ruthenium Nanoparticle Catalysts for Ammonia Synthesis by Reactive Molecular Dynamics Simulation: The Size Effect | Kim, Sung-Yup; Lee, Hong Woo; Pai, Sung Jin; Han, Sang Soo |
| 2016-01-21 | Development of the ReaxFF(CBN) reactive force field for the improved design of liquid CBN hydrogen storage materials | Pai, Sung Jin; Yeo, Byung Chul; Han, Sang Soo |
| 2019-05-15 | Facile control of defect site density and particle size of UiO-66 for enhanced hydrolysis rates: insights into feasibility of Zr(IV)-based metal-organic framework (MOF) catalysts | Cho, Kie Yong; Seo, Jin Young; Kim, Hyun-Ji; Pai, Sung Jin; Do, Xuan Huy; Yoon, Ho Gyu; Hwang, Seung Sang; Han, Sang Soo; Baek, Kyung-Youl |
| 2017-11 | Highly selective and sensitive detection of Cr6+ ions using size-specific label-free gold nanoparticles | Kanagaraj, Rajalakshmi; Nam, Yun-Sik; Pai, Sung Jin; Han, Sang Soo; Lee, Kang-Bong |
| 2019-11 | Improved Description of a Coordinate Bond in the ReaxFF Reactive Force Field | Pai, Sung Jin; Lee, Hong Woo; Han, Sang Soo |
| 2019-05 | Rapid-Response and Highly Sensitive Boronate Derivative-Based Fluorescence Probe for Detecting H2O2 in Living Cells | Selvaraj, Muthusamy; Rajalakshmi, Kanagaraj; Nam, Yun-Sik; Lee, Yeonhee; Kim, Byoung Chan; Pai, Sung Jin; Han, Sang Soo; Lee, Kang-Bong |
| 2019-11 | Reactive molecular dynamics simulation of the amorphous carbon growth: Effect of the carbon triple bonds | Li, Xiaowei; Mizuseki, Hiroshi; Pai, Sung Jin; Lee, Kwang-Ryeol |
| 2017-04-06 | ReaxFF Molecular Dynamics Simulations of Water Stability of Interpenetrated Metal-Organic Frameworks | Liu, Xiu Ying; Pai, Sung Jin; Han, Sang Soo |
| 2017-12-26 | S(E)2 reaction in noncarbon system: Metal-halide catalysis for dehydrogenation of ammonia borane | Pai, Sung Jin; Han, Sang Soo |
| 2017-07 | Simulation Protocol for Prediction of a Solid-Electrolyte Interphase on the Silicon-based Anodes of a Lithium-Ion Battery: ReaxFF Reactive Force Field | Yun, Kang-Seop; Pai, Sung Jin; Yeo, Byung Chul; Lee, Kwang-Ryeol; Kim, Sun-Jae; Han, Sang Soo |
| 2015-07-09 | Unraveling the Atomistic Sodiation Mechanism of Black Phosphorus for Sodium Ion Batteries by First-Principles Calculations | Hembrarn, K. P. S. S.; Jung, Hyun; Yeo, Byung Chul; Pai, Sung Jin; Kim, Seungchul; Lee, Kwang-Ryeol; Han, Sang Soo |
