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
230 June 22 (Fri.), 04:00 PM  #1323, E6-2  Dr. Daniel Sando  Tuning functional properties of BiFeO3 films using strain and growth chemistry file
229 July 9 (Mon.), 14:00 PM  #1323, E6-2  Prof. Cesar A. Hidalgo, MediaLab, MIT  The principles of collective learning file
228 October 25 (Thu.), 4:00 PM  #1323, E6-2  Dr. Gang Li  Abelian and non-Abelian dark photons file
227 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
226 November 1 (Thu.), 16:00 PM  #1323, E6-2  Dr. KyeoReh Lee  Direct holography from a single snapshot file
225 November 8 (Thu.), 16:00 PM  #1323, E6-2  이종완 박사  Conformality lost file
224 November 21 (Wed.), 15:00 PM  #1323, E6-2  Prof. Seongshik Oh  Engineering topological quantum physics at the atomic scale file
223 November 29 (Thu.), 16:00 PM  #1323, E6-2  Dr. Kee suk Hong  양자 칸델라 실현을 위한 단일 광자 발생장치 개발 file
222 April 4 (Thu.), 16:00 PM  #1323, E6-2  Prof. Su-Hyun Gong  Chiral spin-photon interaction at nanoscale file
221 April 11 (Thu.), 16:00 PM  #1323, E6-2  Prof. Joo-Hyoung Lee, GIST  Massive screening for cathode active materials using deep neural network file
220 Apr.19 (Fri.), 11:00 AM  #1323, E6-2  Dr. Ji-Sang Park  First-principles studies of semiconductors for solar cell applications file
219 April 23 (Tue.), 4:00 PM  #1323, E6-2  Prof. Johan Chang  From Mott physics to high-temperature superconductivity file
218 April 26 (Fri.), 4:00 PM  #1323, E6-2  Dr. Soonwon Choi  Robust Quantum Metrology using Strongly Interacting Spin Ensembles and Quantum Convolutional Neural Network file
217 May 1 (Wed), 4:00 PM  #1323, E6-2  Dr. Sungkyun Choi  Raman and x-ray scattering study on correlated electron systems: two case examples file
216 May 2 (Thu.), 4:00 PM  #1323, E6-2  Prof. Joon Ik Jang  Anomalous optical properties of halide perovskites file
215 May. 8th (Wed), 16:00  E6 Room(#1323)  Jieun Lee  Imaging valley dependent electron transport in 2D semiconductors file
214 May 9 (Thu.), 16:00 PM  #1323, E6-2  Prof. Kwang Geol Lee  Quantum Optical Sensing Using Single Photons And Single Photon Emission from Single Emitters file
213 May 9 (Thu.), 16:00 PM  #1323, E6-2  Prof. Kwang Geol Lee  Quantum Optical Sensing Using Single Photons And Single Photon Emission from Single Emitters file
212 June 4 (Tue.), 5:00 PM  #1323, E6-2  Prof. Minsu Kim  Stochastic nature of bacterial eradication using antibiotics file
211 May 31 (Fri.), 11:00 AM  #1323, E6-2  Prof. Guido Burkard  Cavity QED with Spin Qubits file