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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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120 2015/10/23, 3PM  E6-2, #5318  Dr. Helmut Soltner (Forschungszentrum Juelich)  Development of a Rogowski Coil as a new beam position monitor
119 2015/11/06, 4:30 PM  E6-2, #5318  Dr. Youngkuk Kim (University of Pennsylvania)  Topological Dirac line nodes in centrosymmetric semimetals
118 2015/08/03,10:30AM  E6-2, #1323 (Seminar Room)  Dr. Jonghee Yoo (Fermi National Accelerator Laboratory, USA )  Axion Search
117 2015/11/10, 4PM  E6-2, #1323  Dr. Woosuk Bang (Physics division, Los Alamos National Laboratory)  Rapid heating of matter using high power lasers
116 2015/11/19, 4PM  E6-2, #1323  Dr. Daesu Lee (University of Wisconsin-Madison)  Emergent Collective Phenomena and Functions at Reduced Dimensions
115 2015/12/09, 2PM  E6-2, #1323  Arjun G. Yodh (University of Pennsylvania)  SWELLABLE COLLOIDAL PARTICLES ARE SWELL
114 2015/12/02, 4PM  E6-2, #1323  Dr. Dae-Jeong Kim (Dept. of Physics and Astronomy, University of California, Irvine)  Samarium Hexaboride: Is it a Topological insulator?
113 2015/12/03, 4PM  E6-2, #1323  Dr. Sang-Yun Lee (3rd institute of Physics, University of Stuttgart, Germany)  Hybrid solid state spin qubits in wide bandgap semiconductors
112 2015/11/24, 4PM  E6-2, #1323  Dr. Kab-Jin Kim (Institute for Chemical Research, Kyoto University, Japan)  Topology-based understanding of spin dynamics in inhomogeneously magnetized systems
111 2015/11/23, 1:30PM  E6-2, #1323  Dr. Michael Park (Stanford University)  What's Beyond the Standard Model? Lessons from Run I and what might come in Run II
110 2015/11/28, 10AM  E6-2, #1323  Dr. Suyong Jung (Korea Research Institute of Standards and Science)  Electron Tunneling Spectroscopy of Single and Bilayer Graphene with Hexagonal Boron Nitride as Tunneling Barrier
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108 2015/12/11, 1:30PM  E6-2, #1323  Dr. KwangYong Choi  (Chung-Ang University)  Quantum spin liquid in the 1/3 depleted triangular lattice Ba3(Ru1-xIrx)Ti2O9
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