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장소 KI빌딩(E4), 강의실 B501 (5F) 
일시 4월 18일(월), 15:30~ 
연사 Prof. Robert A. DiStasio Jr. (Cornell University) 

1. 일시: 418(), 15:30~

2. 장소: KI빌딩(E4), 강의실 B501 (5F)

3. 주제: First Principles Approaches for Intermolecular Interactions: From Gas-Phase Dimers to Liquid Water and Molecular Crystal Polymorphism

4. 문의: 이수현(suehyun@kaist.ac.kr, 내선 1752)

5. 주관: 정유성 교수님 (내선 1712)

6. Abstract:

Long-range van der Waals (vdW) or dispersion interactions are crucial in determining the structure, stability, and function of many systems throughout the fields of biology, chemistry, physics, and materials science. In this work, I will discuss several first-principles based approaches that have been recently developed for obtaining an accurate theoretical description of vdW interactions in molecules and materials. Particular focus will be placed on the many-body dispersion (MBD) model, which includes both long-range Coulomb electrodynamic response screening effects as well as a treatment of the many-body vdW energy to infinite order. To demonstrate the increasingly important role played by many-body vdW interactions in large, structurally complex molecular systems, this method will be used to investigate several pertinent molecular properties, such as binding energies/affinities in gas-phase molecular dimers and supramolecular complexes, relative conformational energetics in small polypeptides and DNA helices, anomalous structural and density signatures of liquid water, and thermodynamic stabilities among competing molecular crystal polymorphs.

* 첨부. Abstract 

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231 Oct. 18 (Tue.), 1:30 PM  1st fl. #1323(E6-2)  Dr. Chan-Ho Yang, Department of Physics, KAIST  "Visualization of oxygen vacancy in motion and the interplay with electronic conduction"
230 Oct. 17th (Mon) 11:00 AM  #1323,(E6-2, 1st fl.)  Nguyen Quang Liem, Institute of Materials Science, VAST, Viettnam  IMS and examples of the studies on optoelectronic materials
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228 Oct. 12 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Daniel Kyungdeock Park  Quantum Advantage in Learning Parity with Noise file
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225 Oct. 07 (Fri), 1:30 PM  E6-2. #1323(1st fl.)  Dr. Suk Bum Chung, IBS-CCES , Seoul National University  “Symmetry and topology in transition metal dichalcogenide?”
224 November 8 (Thu.), 16:00 PM  #1323, E6-2  이종완 박사  Conformality lost file
223 November 29 (Thu.), 16:00 PM  #1323, E6-2  Dr. Kee suk Hong  양자 칸델라 실현을 위한 단일 광자 발생장치 개발 file
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221 November 1 (Thu.), 16:00 PM  #1323, E6-2  Dr. KyeoReh Lee  Direct holography from a single snapshot file
220 Nov. 9 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Donghun Lee  Quantum sensing and imaging with diamond defect centers for nano-scale spin physics file
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214 Nov. 28 (Tue.), 4:00 PM  #1323 (E6-2. 1st fl.)  Samindranath Mitra, Editor at Physical Review Letters  Physics after the lab and the desk: Your work in PRL file