| 학회 |
한국화학공학회 |
| 학술대회 |
2021년 봄 (04/21 ~ 04/23, 부산 BEXCO) |
| 권호 |
27권 1호, p.45 |
| 발표분야 |
[주제별심포지엄]실험과 분자모사의 융합 심포지엄 |
| 제목 |
Computational Porous MaterialsDesign and Applications |
| 초록 |
In this work, I will present our group’s recent effort in using the principles of rational materials design to facilitate synthesis of metal-organic framework (MOF) composite materials. In particular, we focus on designing MOF@MOF materials using the algorithm developed within our lab and our theoretical predictions have led to discovery/synthesis of new composite porous materials. Finally, we apply our computational tools to help facilitate synthesis of new chemiresistive sensor materials with excellent performance for toxic gas detection. |
| 저자 |
김지한 |
| 소속 |
한국과학기술원 생명화학공학과 |
| 키워드 |
Porous materials; machine learning; computational simulations
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| E-Mail |
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| VOD |
VOD 보기 |
| 원문파일 |
초록 보기 |
