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 2019/03/21 - 5/30  Seminar Room #1323  Dr. Hyangtag Lim (KIST) and etc.  Spring 2019: Physics Seminar Serises
공지 2019/02/25 - 06/03  Seminar Room 1501  양용수 교수 (Prof. Yongsoo Yang, KAIST) and etc.  Spring 2019: Physics Colloquium
210 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
209 October 18 (Thu.), 16:00 PM  #1323, E6-2  Prof. Jongseok Lee  Applications of nonlinear optics for condensed matter researches file
208 October 4 (Thu.), 16:00 PM  #1323, E6-2  Prof. Soo Jin Kim  Engineering light absorption in an ultrathin semiconductor metafilm file
207 October 11 (Thu.), 16:00 PM  #1323, E6-2  Prof. Joung-Real Ahn  Dirac electrons in a graphene quasicrystal file
206 October 15 (Mon.), 16:00 PM  #1323, E6-2  Dr. Yongjoo Baek  Universal properties of macroscopic current-carrying systems file
205 October 16 (Tue.), 10:00 AM  #1323, E6-2  Dr. Won-Ki Cho  Capturing protein cluster dynamics and gene expression output in live cells file
204 October 18 (Thu.), 10:00 AM  #1323, E6-2  Dr. Duyoung Min  Understanding membrane protein folding using single-molecule force techniques file
203 October 19 (Fri.), 10:00 AM  #1323, E6-2  Dr. Jongsoo Yoo  Energy conversion processes during magnetic reconnection in a laboratory plasma file
202 September 5 (Wed.), 16:00 PM  #1323, E6-2  Dr. Dirk Wulferding  Shining a light on fractional excitations file
201 September 20 (Thu.), 16:00  #1323, E6-2  Prof. Joo-Hiuk Son  Toward Cancer Treatment Using Terahertz Radiation: Demethylation of Cancer DNA file
200 June 27 (Wed.), 13:30 PM  #1323, E6-2  Dr. Jung Sik Park  Magnetic reversal of artificial spin ice file
199 May 9 (Wed.), 04:00 PM  #1323, E6-2  Prof. Jong-Soo Rhyee  Recent advances in thermoelectric bulk composites file
198 May 29 (Tue.), 04:00 PM  #1323, E6-2  Prof. Jae-Won Jang  Investigation on metal nanostructure/semiconductor junction and its applications file
197 May 311 (Thu.), 04:00 PM  #1323, E6-2  Prof. Teun-Teun Kim  Dynamic control of optical properties with gated-graphene metamaterials file
196 June 22 (Fri.), 04:00 PM  #1323, E6-2  Dr. Daniel Sando  Tuning functional properties of BiFeO3 films using strain and growth chemistry file
195 July 9 (Mon.), 14:00 PM  #1323, E6-2  Prof. Cesar A. Hidalgo, MediaLab, MIT  The principles of collective learning file
194 October 25 (Thu.), 4:00 PM  #1323, E6-2  Dr. Gang Li  Abelian and non-Abelian dark photons file
193 October 26 (Fri.), 4:00 PM  #1323, E6-2  Dr. Kyusung Hwang  Coexisting triple-point and nodal-line topological magnons and thermal Hall effect in pyrochlore iridates file
192 November 1 (Thu.), 16:00 PM  #1323, E6-2  Dr. KyeoReh Lee  Direct holography from a single snapshot file