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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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49 Jan.9 (Wed.), 04:00 PM  E6-2. 2nd fl. #2501  Dr. Heung-Sik Kim  Molecular Mott state in the deficient spinel GaV4S8 file
48 4pm, Sep. 21 (Wed.  E6-2. #2502(2nd fl.)  Dr. Henrik Johannesson , University of Gothenburg (Sweden) and Beijing Computational Science Research Center (China)  Entanglement probe of two-impurity Kondo physics
47 Jun 24 (Mon) 11:00  E6-2, #1323  Dr. Henning Schomerus  Topological photonic anomalies file
46 2015/10/23, 3PM  E6-2, #5318  Dr. Helmut Soltner (Forschungszentrum Juelich)  Development of a Rogowski Coil as a new beam position monitor
45 May 19 (Thu) 4PM  #1323(E6-2, 1st fl.)  Dr. Heedeuk Shin, POSTECH  Nonlinear/quantum optical effect in silicon nano-photonics
44 Sep. 22, 2016(Thu), 3:30 PM  #1323(E6-2, 1st fl.)  Dr. Haiyang Yan (Institute of Nuclear Physics and Chemistry)  Polarized 3He, Polarized Neutrons and New Interactions beyond the Standard Model
43 Sep. 22, 2016(Thu), 3:30 PM  #1323(E6-2, 1st fl.)  Dr. Haiyang Yan (Institute of Nuclear Physics and Chemistry)  Polarized 3He, Polarized Neutrons and New Interactions beyond the Standard Model
42 2015/09/14, 2PM  E6-2. 2nd fl. #2501  Dr. Hae Ja Lee ( Stanford University, SLAC )  Ultrafast X-ray Studies on Dynamics Matter in Extreme Conditions
41 Dec. 7 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Gyung Min Choi  Spin generation from heat and light in metals file
40 Sep. 22 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. GilHo Lee / Department of Physics, POSTECH  Quantum Electronic Transport in Graphene Hybrid Nanostructures file
39 Sep. 22 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. GilHo Lee / Department of Physics, POSTECH  Unexpected Electron-Pairing in Integer Quantum Hall Effect file
38 October 25 (Thu.), 4:00 PM  #1323, E6-2  Dr. Gang Li  Abelian and non-Abelian dark photons file
37 Nov. 1st (Tue), 10:30AM  #1323(E6-2 1st fl.)  Dr. Gadi Eisenstein, Technion  Time scale dependent dynamics in InAs/InP quantum dot gain media
36 April 4, 2016 (Mon) - April 8, 2016 (Fri)  KAIST Natural Science Building (E6-2), RM #4314  Dr. Fritz Caspers (CERN)  Radio frequency engineering
35 May 24 (Tue) 4 PM  E6-2. #1323(1st fl.)  Dr. Euyheon Hwang, SKKU Advanced Institute of Nanotechnology, Sung Kyung Kwan University  Electronic and magnetic properties of 2D transition-metal thiophosphates and tunability of magnetic order with carrier density
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33 Sep. 22 (Fri.), 01:00 PM  E6-2. 1st fl. #1323  Dr. EunSeong Kim / Department of Physics, KAIST  Superconductor-metal-insulator transition in thin Tantalum films file
32 Jul. 07 (Thu.) 2PM  #1323(E6-2. 1st fl.)  Dr. Eun Ah Kim, CORNELL UNIV.  Let there be topological superconductors
31 2015/08/04, 11PM  B501, Room Red, KI bldg. 5nd fl.  Dr. Eric Jin Ser Lee(Univ. of Manitoba, Canada)  Propagation of ultrasound through two- and three-dimensional strongly scattering media