화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2013년 봄 (04/24 ~ 04/26, 광주 김대중컨벤션센터)
권호 19권 1호, p.1091
발표분야 신진연구자 심포지엄
제목 Usage of Molecular Modeling and Simulation in Chemical Engineering
초록 Advances in molecular modeling and simulation have made great impacts on almost all research fields due to their well-defined ability to describe atomistic and molecular behaviors controlling macroscopic phenomena. Furthermore, the increase of the computer technology complementarily fulfills its implementations further into the topics that have never been dreamed to work on 30 some years ago. Those are typically nano-and biomaterials and their related systems in the chemical engineering field. As artificial exploration into atomistic world became possible via simulations developed over last decades, the research trend, which has been experiment-orientated, currently moves to greet the collaborative effort with computational study. The talk is particularly prepared to present various topics to show how impactful the interdisciplinary effort of molecular modeling and simulation and chemical engineering can be. Two categories of application and fundamental studies are to be discussed.
저자 곽상규
소속 울산과학기술대
키워드 molecular modeling and simulation; molecular dynamics; Coarse-Grained DPD; Ab-Initio
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