| 학회 | 한국화학공학회 |
| 학술대회 | 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터) |
| 권호 | 28권 1호, p.13 |
| 발표분야 | 신진 연구자 심포지엄 |
| 제목 | Computational Materials Design for Energy Applications |
| 초록 | Over the past few decades, computational chemistry has been widely applied to find and develop new materials for various purposes such as low price, high activity, and durability on diverse reaction conditions. Understanding the nature of catalysis and material properties at the atomic level makes it possible to provide fundamental information for designing new types of materials. Until now, many experimental approaches have used “trial and error” method to identify and develop new materials. Owing to the high cost for experiments and the limitation of instruments, however, experimental approaches have experienced difficulties in massive material screening. Recently, computational approaches combined with experimental verification have been a great demand to “shorten the time for discovery and development of specialized materials in various research and industry fields”. In this talk, we will introduce the two main procedures of computational approaches; (1) simulation-driven material design and (2) experiment-driven material design in chemical engineering to design new energy and functional materials from several examples. |
| 저자 | 김경학 |
| 소속 | 한양대 |
| 키워드 | |
| 원문파일 | 초록 보기 |
