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공공누리This item is licensed Korea Open Government License

Title
계산화학 교육·연구 융합환경 개발
Alternative Title
Development of Education & Research nvironment for Computational Chemistry
Author(s)
조금원남덕윤변옥환안부영이종숙염민선유정록문종배진두석이지수신영호유진승한성근임재형정영진이동춘박선례김규진이득영윤수아
Alternative Author(s)
Jo, Geum-Won; Nam, Deok-Yun; Byeon, Ok-Hwan; An, Bu-Yeong; Lee, Jong-Suk; Yeom, Min-Seon; Yu, Jeong-Rok; Mun, Jong-Bae; Jin, Du-Seok; Lee, Ji-Su; Sin, Yeong-Ho; Yu, Jin-Seung; Han, Seong-Geun; Im, Jae-Hyeong; Jeong, Yeong-Jin; Lee, Dong-Chun; Park, Seon-Rye; Kim, Gyu-Jin; Lee, Deuk-Yeong; Yun, Su-A
Publisher
한국과학기술정보연구원
Korea Institute of Science and Technology Information
Publication Year
2011-12
Description
funder : 과학기술부
agency : 한국과학기술정보연구원
agency : Korea Institute of Science and Technology Information
Abstract
◦계산화학 융합연구 분야 발굴 및 연구 수행
▪계산화학 분야 연구자 워크숍 및 튜토리얼 개최
▪슈퍼컴퓨팅/사이버인프라스트럭처 기반 나노튜브 등 계산화학 첨단 연구주제 도출
◦첨단 사이언스ㆍ교육 허브 개발(EDISON) 사업 발굴
▪모창과제를 통한 EDISON 화학분야(EDISON_Chem) 추진 예산 확보
▪EDISON 응용 프레임워크 개발 방안 수립
▪EDISON 미들웨어 개발 및 사이버인프라 자원 제공 방안 수립
▪화학, 열유체 등 5개 전문분야별 커뮤니티 구성ㆍ운영ㆍ활성화 방안 수립
◦슈퍼컴퓨팅기반 계산화학 콘텐츠 개발
▪계산도구별 모델링 주제 도출 및 강의 자료 개발
▪계산도구별 계산 프로토콜 개발 및 슈퍼컴퓨팅 활용방안 도출
◦슈퍼컴퓨터기반 계산화학 교육 플랫폼 개발
▪계산화학 웹기반 사용자(학생/강사/관리자) 인터페이스 개발
▪계산화학 시뮬레이션 사용자 인터페이스 개발
▪콘텐츠 제작지원 인터페이스 개발
◦국제공동 응용환경 프레임워크 개발(KISTI-NCSA Science Gateway)
▪Application framework 및 의미론적 데이터 관리 기능 개발
▪다분야 활용 가능한 개방형 사이언스ㆍ교육 융합환경 설계
▪자원 연동 및 활용: NCSA TeraGrid 자원, KISTI PLSI 자원
◦계산화학 교육/연구 융합환경 서비스 및 활성화
▪학부/대학원 계산화학 수업에 적합한 인터페이스 개발
▪e-Chem(Chemworks) 계산화학 수업 활용: 6개 대학(원), 800명 이상
▪계산화학 분야 연구자 커뮤니티(MCI 연구회) 활성화

Ⅳ. Result of the study
◦Applications and research for integration research in computational chemistry
▪Opening a researcher workshop and tutorial in computational chemistry
▪Drawing advanced research topics in computational chemistry such as Nanotub based on supercomputing/cyberintrastructure
◦Applications of Education-research integration through simulation on the net.
▪Budget securement of EDISON in chemistry (EDISON Chem) though an adventure and creative project.
▪Planning of EDISON application framework development.
▪Supporting planning of EDISON middleware development and cyber infrastructure.
▪Planning of building community in five areas such as chemistry and thermo-fluidic simulation.
◦Development of contents in computational chemistry based on supercomputing.
▪Finding modeling topics depending on computational tools and development of lecture notes.
▪Development of computational protocol depending on computational tools and supercomputing applications
◦Development of education platform in computational chemistry based on supercomputing.
▪Development of web based user interface in computational chemistry for student, lecturer, and manager.
▪Development of web based simulation user interface in computational chemistry.
▪Development of content builder interface.
◦Development of application framework through international collaboration. (KISTI-NCSA Science Gateway)
▪Development of application framework and semantic data management functions.
▪Design of extensible science-education integration environment for five areas.
▪Resource interworking and applications : NCSA teraGrid resources, KISTI PLSI resources.
◦Service and vitalization of education/research integration environment in computational chemistry.
▪Interface development for the lectures of undergraduate and postgraduate school in computational chemistry.
▪Utilization of e-Chem(Chemworks) in the computational chemistry lectures: more 800 people and 6 schools.
▪Building researcher community (MCI research society) in computational chemistry.
Keyword
Computational Chemisrty; Convergence Environment; Education; Research; Application framework; e-Chem; Chemworks; Cyberinfrastructure
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7. KISTI 연구성과 > 연구보고서 > 2011
URI
https://repository.kisti.re.kr/handle/10580/11126
http://www.ndsl.kr/ndsl/search/detail/report/reportSearchResultDetail.do?cn=TRKO201400001306
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