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학술발표회초록보기

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  • 02월 20일 17시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제113회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Computational Chemistry at work: Quantum Computing to Neurodegenerative Diseases

등록일
2014년 2월 28일 09시 35분 03초
접수번호
1441
발표코드
PHYS2-2 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 13시 : 45분
발표형식
분과기념
발표분야
물리화학 - Physical Chemistry at the Nanoscale
저자 및
공동저자
신석민
서울대학교 화학부, Korea
Understanding the properties and the changes of materials at the molecular level is the essence of chemistry. Computational chemistry, aided by the recent developments in high speed and large capacity computer technologies, can provide direct and detailed information by mimicking the structures and motions of the real molecular systems. In this talk, we will introduce few examples where theoretical and computational approaches are adopted to provide basic understanding for operational principle of quantum computing and molecular mechanism of neurodegenerative diseases. Ability to actively control quantum states is crucial for constructing universal quantum computation. Novel quantum control schemes using strong lasers, based on adiabatic passages assisted by dynamical Stark shift, will be described. Investigating the formation of amyloid fibrils and prefibrilar aggregates of misfolded proteins is very important to elucidate possible causes for various neurodegenerative disorders. Systematic molecular dynamics simulations have been performed on the formation of the oligomers of Aβ peptide and peptides from α-synuclein. The general mechanism of amyloid formation and possible application to the designing new functional bionanostructures will be discussed.

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