visual
visual

세미나

  • HOME
  • >
  • 소식
  • >
  • 세미나
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 2019/09/18 - 12/5  Seminar Room #1323  Prof. David Schuster and etc.  Fall 2019: Physics Seminar Serises
공지 2019/09/02 - 12/09  Seminar Room 1501  이호성 박사 (한국표준과학연구원) and etc.  Fall 2019: Physics Colloquium
124 Dec. 9(Fri), 1:30 p.m.  #1323(E6-2. 1st fl.)  Dr. Jae Yoon Cho, POSTECH  Entanglement area law in strongly-correlated systems
123 Dec. 8(Thu) 4p.m.  #1323(E6-2. 1st fl.)  Dr. Jinhyoung Lee, Hanyang University  Dynamical Resonance between Two Optical Cavities via Optomechanical Oscillator
122 Dec. 7 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Joon Ho Jang  Novel probes of interacting electrons in 2D systems file
121 Dec. 7 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Gyung Min Choi  Spin generation from heat and light in metals file
120 DEC. 27 (Thu), 04:00 PM  E6-2. 1st fl. #1323  Prof. Na Young Kim  Quantum Innovation (QuIN) Laboratory file
119 Dec. 26 (Wed.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Isaac H. Kim  Brane-like defect in 3D toric code file
118 DEC. 26 (Wed), 04:00 PM  E6-1. 3rd fl. #3434  Y. Kim, A. Go, K. Hwang and E.-G. Moon  Informal Workshop on Topology and Correlation file
117 DEC. 16~18 (Sun~Tue)  E6-2. 1st fl. #1323  Prof. Keisuke Totsuka  Lectures on 2d Conformal Field Theory file
116 Dec. 15 (Fri.), 9:20 AM  E6-2, Lecture Room #1323  Prof. Jhinhwan Lee 외 9명  Workshop on Magnetism in Unconventional Superconductors 개최 file
115 Dec. 13-14(Wed.-Thu.) 13:30 PM  자연과학동 대형강의실 (1501호)  장기주 교수 외 9명  KAIST-KIAS Joint Workshop in Theoretical Sciences 개최 file
114 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”
113 DEC. 11 (Tue), 04:00 PM  E6-2. 1st fl. #1323  Prof. Hiroshi Shinaoka  Natural compact representation of Matsubara Green’s functions: applications to analytic continuation and quantum many-body simulations file
112 August. 6th (TUE), 14:00  E6 Room(#1323)  Kanghyun Chu  Visualization of in-plane piezoresponse vector fields file
111 August. 1st (Thu), 14:00  E6 Room(#1323)  Hyeok Yoon  Low-density Superconductivity in SrTiO3 Probed by Planar Tunneling Spectroscopy file
110 August. 16th (Fri), 14:00  E6 Room(#1323)  Jinxing Zhang  Multiferroic and Magnetoelectric Effects by Tailoring Interfacial Chemistry and Physics in Correlated Oxides file
109 August. 14th (Wed.), 4:00PM,  Rm. 1323, E6  Prof. Nicolas Treps  Quantum Optics, at the heart of quantum metrology and quantum information file
108 August 27 (Tue.), 4:00PM  Rm. 1323, E6  Hiroshi Eisaki  Critical current properties of Fe-based superconductors file
107 August 1, 2018 at 11:00AM  양분순 빌딩 (E16-1) 207호  이대열 교수, 예일대 석좌교수  Future of AI: Is the brain a computer? file
106 Aug. 4, 2016 (Thu.), 2:30 pm  KAIST Natural Science Building (E6-5), EDU 3.0 Room(1st fl.)  Prof. Argyris Nicolaidis  Relational Logic (with applications to Quantum Mechanics, String Theory, Cosmology, Neutrino Oscillations, Statistical Mechanics)
105 AUG. 31 (Thu.), 2 PM  #5318(E6-2. 5th fl.)  Prof. Hiroaki Ishizuka (The University of Tokyo)  “Berry phase and nonlinear response: photocurrent in noncentrosymmetric insulators and Weyl semimetals” file