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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 

번호 일시 장소 연사 제목
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공지 2019/09/02 - 12/09  Seminar Room 1501  이호성 박사 (한국표준과학연구원) and etc.  Fall 2019: Physics Colloquium
171 Sep10(Tue), 15:00  #2502, E6-2  Jun Ho Son  (2+1) D Duality Web from 3D Euclidean Lattice file
170 August. 16th (Fri), 14:00  E6 Room(#1323)  Jinxing Zhang  Multiferroic and Magnetoelectric Effects by Tailoring Interfacial Chemistry and Physics in Correlated Oxides file
169 May. 8th (Wed), 16:00  E6 Room(#1323)  Jieun Lee  Imaging valley dependent electron transport in 2D semiconductors file
168 May. 8th (Wed), 16:00  E6 Room(#1323)  Jieun Lee  Imaging valley dependent electron transport in 2D semiconductors file
167 June 27 (Thu), 2:00 PM  #2502, E6-2  Hyun-Yong Lee  Gapless Kitaev Spin Liquid to Loop and String Gases file
166 Jun. 16 (Thu) 4PM  #1323(E6-2, 1st fl.)  Hyochul Kim, Samsung Advanced Institute of Technology  Quantum information processing using quantum dots and photonic crystal cavities
165 August. 1st (Thu), 14:00  E6 Room(#1323)  Hyeok Yoon  Low-density Superconductivity in SrTiO3 Probed by Planar Tunneling Spectroscopy file
164 August 27 (Tue.), 4:00PM  Rm. 1323, E6  Hiroshi Eisaki  Critical current properties of Fe-based superconductors file
163 January 17 (Fri), 4:00 PM  #1323, E6-2  Hiroki Ikegami  Symmetry Breaking and Topology in Superfluid 3He file
162 September 26 (Thu.), 16:00 PM  #1323, E6-2  Han Seb Moon  Entanglement Swapping with Autonomous Polarization-Entangled Photon-Pairs from Warm Atomic Ensemble file
161 December 27(Fri.), 15:00  E6-2,#5318  Han Gyeol Suh  The superconducting order parameter puzzle of Sr2RuO4 file
160 Dec 27 (Fri), 3:00 PM  #5318, E6-2  Han Gyeol Suh  The superconducting order parameter puzzle of Sr2RuO4 file
159 Nov. 18th (Fri) 10:30 a.m.  #5318(5th fl.)  Dr. 최 순 원, Havard University  Non-equilibrium many-body spin dynamics in diamond
158 Oct. 27th(Thu) 4PM  #1323(E6-2)  Dr. 이 강 희, KAIST, Mechnical Engineering  Terahertz Metal Optics
157 June 28 (Fri.), 13:30 PM  #1323, E6-2  Dr. Yusuke Kozuka  Magnetic domains and domain wall conduction in pyrochlore iridate thin films and heterostructures file
156 Apr. 08 (Fri.), 13:30 PM  E6-2. 1st fl. #1501  Dr. Yunkyu Bang, Chonnam National Univ.  Theoretical Overview of Iron-based superconductors and its future
155 Sep. 26 (Tue.), 11AM  #1323 (E6-2. 1st fl.)  Dr. Yukiaki Ishida / ISSP, University of Tokyo  Time-resolved ARPES study of Dirac and topological materials
154 Nov. 1 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. YoungWook Kim  Squeezing the best out of 2D materials file
153 Apr. 19 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. YoungWoo Nam  A family of finite-temperature electronic phase transitions in graphene multilayers file
152 2015/11/06, 4:30 PM  E6-2, #5318  Dr. Youngkuk Kim (University of Pennsylvania)  Topological Dirac line nodes in centrosymmetric semimetals