visual
visual

세미나

  • HOME
  • >
  • 소식
  • >
  • 세미나
날짜 2016-04-18 15:30 
일시 4월 18일(월), 15:30~ 
장소 KI빌딩(E4), 강의실 B501 (5F) 
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 날짜 장소 제목
302 2024-01-24 15:00  E6-2 #1323  Determination of single molecule loading rate during mechanotransduction file
301 2022-11-17 16:00  E6-2 #1323  (광학분야 세미나) Ultrastructural and Spectroscopic Studies by Super-Resolution Fluorescence Microscopy
300 2023-01-11 16:00  E6-2 #1323  Non-abelian anyons and graph gauge theory on a superconducting processor, Eun-Ah Kim (Cornell University/Ewha Womans University)
299 2023-05-12 11:00  E6-2 #1323  (응집물리 세미나)Interlayer conductivity and plasmon in weakly coupled layered systems
298 2022-09-22 16:00  E6-2 #1323  (광학분야 세미나) Quasi-particle-like optical vortices in magnetic materials
297 2023-04-14 12:00  E6-2 #1323  (응집물리 세미나)Exotic quantum phenomena in two-dimensional materials file
296 2023-01-11 11:00  E6-2 #1323  Directly proving magnetoelastic coupling in a soft ferromagnet using Lorentz 4D-STEM file
295 2023-01-12 14:40  E6-2 #1323  JILA 1D Wannier-Stark optical lattice clock file
294 2022-11-11 11:00  E6-2 #1323  [Update 세미나영상] (응집물리 세미나) Honeycomb oxide heterostructures for quantum spin liquid file
293 2023-03-17 11:00  E6-2 #1323  (응집물리 세미나)Operando electron microscopy investigation of domain dynamics in twisted van der Waals materials file
292 2023-05-18 16:00  E6-2 #1323  (광학분야 세미나)Dielectric metasurfaces for optimized optical system and spatial light modulators
291 2023-05-19 11:00  E6-2 #1323  (응집물리 세미나)Dipole condensations in Tilted Bose-Hubbard Chains
290 2022-10-27 16:00  E6-2 #1323  (광학분야 세미나) Cavity optomechanical systems for quantum transduction
289 2022-10-07 11:00  E6-2 #1323  [Update 세미나 영상] (응집물리 세미나) Competing orders in a vanadium-based kagome metal monolayer file
288 2023-09-07 12:00  E6-2 #1323  2023 가을학기 광학분야 및 응집물리 특별세미나 전체 일정 file
287 2023-05-26 11:00  E6-2 #1323  (응집물리 세미나)Spectral Analyses of Stochastic Charge Trapping in Oxide Heterostructures file
286 2022-09-23 11:00  E6-2 #1323  [Update 세미나 영상] (응집물리 세미나) Steady Floquet-Andreev states in graphene Josephson junctions file
285 2022-12-07 16:00  E6-2 #1323  (광학분야 세미나) Non-Hermitian physics and non-Hermitian singularity
284 2024-03-08 11:00  E6-2 #1323  2024 봄학기 광학분야 및 응집물리 특별세미나 전체 일정 file
283 2022-10-13 16:00  E6-2 #1323  (광학분야 세미나) Ultrafast Optics for Ultra-Precision Metrology and Realization of Flexible/Stretchable Laser-Induced-Graphene Electronics