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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
공지 2018/09/20 - 11/29  Seminar Room #1323  손주혁 교수(서울시립대 물리학과) and etc.  Fall 2018: Physics Seminar Serises
공지 2018/08/27 - 12/03  Seminar Room 1501  김승중 교수 (KAIST) and etc.  Fall 2018: Physics Colloquium
119 Mar. 2nd (Thu), 4:00 p.m  #1323(E6-2. 1st fl.)  Dr. Jonathan Denlinger, Lawrence Berkeley National Lab  “Progress in the comparison of ARPES to DMFT for d and f strongly correlated electron systems”
118 Feb. 1 (Wed.), 2p.m.  #1323(E6-2. 1st fl.)  Dr. Michihisa Yamamoto, Department of Applied Physics, The University of Tokyo  Quantum electron optics using flying electrons
117 2017.1.9(Mon), 4PM  Lecture Hall, College of Natural Sciences [#1501,E6-2]  Prof. John Michael Kosterlitz, Brown University  Topological Defects and Phase Transitions" file
116 Dec. 12th (Mon)  1:30p.m. #1323(E6-2. 1st fl.)  Dongjoon Song , AIST  “Possible symmetry in the phase diagrams of electron- & hole-doped cuprate high-Tc superconductors”
115 Dec. 9(Fri), 1:30 p.m.  #1323(E6-2. 1st fl.)  Dr. Jae Yoon Cho, POSTECH  Entanglement area law in strongly-correlated systems
114 Dec. 9(Fri), 4p.m.  #1323(E6-2. 1st fl.  Dr. Kun Woo Kim, KIAS  Shift Charge and Spin Photocurrents in Dirac Surface States of Topological Insulator
113 Dec. 8(Thu) 4p.m.  #1323(E6-2. 1st fl.)  Dr. Jinhyoung Lee, Hanyang University  Dynamical Resonance between Two Optical Cavities via Optomechanical Oscillator
112 Nov. 29(Tue) 4p.m.  #1323(E6-2. 1st fl.)  Dr. SungBin Lee, KAIST  Symmetry Protected Kondo Metals and Their Phase Transitions
111 Nov. 24(Thu) 4p.m.  #1323(E6-2. 1st fl.)  Dr. Jai-Min Choi, Chonbuk National Univiersity  Harmonic oscillator physics with single atoms in a state-selective optical potential
110 Nov. 18th (Fri) 10:30 a.m.  #5318(5th fl.)  Dr. 최 순 원, Havard University  Non-equilibrium many-body spin dynamics in diamond
109 Nov. 16 (Wed), 4p.m.  #1323(E6-2. 1st fl.)  Dr. Heung-Sik Kim , University of Toronto  Realizing Haldane Model in Fe-based Honeycomb Ferromagnetic Insulators
108 Nov. 10th(Thu) 4 p.m.  E6-2. #1323(1st fl.)  Prof. Min Seok Jang, Electrical Engineering, KAIST  Low Dimensional Active Plasmonics and Electron Optics in Graphene
107 Nov. 11th (Fri), 4 p.m.  #1323(E6-2. 1st fl.)  Dr. Bohm-Jung Yang, SNU  Dirac fermions in condensed matters
106 Nov. 11th(Fri), 1:30 p.m.  #1323(E6-2. 1st fl.)  Dr. Keun Su Kim, POSTECH  Bandgap Engineering of Black Phosphorus
105 Nov. 04 (Fri), 3:00 PM  E6-2. #1323(1st fl.)  Dr. Dohun Kim, Department of Physics and Astronomy, SNU  Quantum information experiments using few electron spins in semiconductors
104 Nov. 04 (Fri), 1:30 PM  E6-2. #1323(1st fl.)  Dr. Jonghyun Song, Department of Physics, Chungnam National University  Exotic phenomena at oxide LaAlO3/SrTiO3 hetero-interface and their applications
103 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
102 Oct. 27th(Thu) 4PM  #1323(E6-2)  Dr. 이 강 희, KAIST, Mechnical Engineering  Terahertz Metal Optics
101 Nov. 1 (Tue.) 2:30 pm  Seminar Room #1323(E6-2)  Prof. Youngjoon Kwon, Yonsei Univ.  Search for dark sector particles in the B-factory experiments
100 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