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
180 Sep10(Tue), 15:00  #2502, E6-2  Jun Ho Son  (2+1) D Duality Web from 3D Euclidean Lattice file
179 February 21 (Thu.), 16:00 PM  #5313, E6-2  Prof. Diptimoy Ghosh  B-meson charged current anomalies - Theoretical status file
178 Nov. 8 (Wed.), 1:00 PM  #5318 (E6-2. 5th fl.)  Prof. Y. Matsuda Department of Physics, Kyoto University  “Emergent exotic quasiparticles in quantum spin liquids” file
177 Nov. 18th (Fri) 10:30 a.m.  #5318(5th fl.)  Dr. 최 순 원, Havard University  Non-equilibrium many-body spin dynamics in diamond
176 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
175 May 21 (Tue.), 4:00 PM  #5318, E6-2  임준원 박사  Classification of flat bands according to the band-crossing singularity of Bloch wave functions file
174 Feb. 12 (Mon), 3:00pm  #C303, (Creation Hall 3F, KAIST Munji Campus)  Dr. Byeongsu Yang, Kamioka Observatory, Univ. of Tokyo  The recent result of XMASS Experiment
173 2015/03/04, 12PM  1323호, E6-2  Prof. Choi Hak-Soo(Harvard)  Bioimaging and Biosensing Using Near-Infrared Fluorescence file
172 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”
171 Oct. 18 (Tue.), 1:30 PM  1st fl. #1323(E6-2)  Dr. Chan-Ho Yang, Department of Physics, KAIST  "Visualization of oxygen vacancy in motion and the interplay with electronic conduction"
170 July 10 (Wed.), 04:00 PM-  Academic Cltural Complex (E9) 5층 스카이라운지  Prof. Sidney Nagel/Young-Kee Kim  Public Lectures file
169 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
168 Jun. 1(Wed) 10:30 AM  BK21 Conference Room (#1318, E6-2)  Dr. Noriaki Horiuchi, Editor, Nature Photonics  Welcome to Nature Photonics
167 2015/03/13, 2PM  Connect Room, KI Bldg.    The 15th Innovative Workshop on Soft/Bio Materials file
166 2015/12/09, 11AM  E4(KI Building), Connect room (2nd fl.)  Arjun G. Yodh (University of Pennsylvania)  Functional Imaging & Monitoring of Brain & Breast with Diffuse Light
165 2015/12/17, 11:00AM  E4(KI Building), Matrix Hall (2nd fl.)  Dr. Jung-Hoon Park (Purdue University)  Wavefront engineering for in-vivo Deep brain imaging
164 2015/07/23,1:30PM  E4, B401  Prof. Gilles Lérondel (Univ. of Technology of Troyes)  Enhanced ZnO based UV photonics and related applications file
163 Nov. 22th (Thur), 15:00  E6 Room(#1323)  Prof. Suprijadi Haryono  Experimental and Computational Study on Physical Properties based on Granular System file
162 May. 8th (Wed), 16:00  E6 Room(#1323)  Jieun Lee  Imaging valley dependent electron transport in 2D semiconductors file
161 August. 16th (Fri), 14:00  E6 Room(#1323)  Jinxing Zhang  Multiferroic and Magnetoelectric Effects by Tailoring Interfacial Chemistry and Physics in Correlated Oxides file