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
327 2017-08-31 14:00  #5318(E6-2. 5th fl.)  “Berry phase and nonlinear response: photocurrent in noncentrosymmetric insulators and Weyl semimetals” file
326 2023-06-08 16:00  E6-2, #1323  Thermal decoupling in high-Tc cuprate superconductors
325 2019-05-31 11:00  #1323, E6-2  Cavity QED with Spin Qubits file
324 2022-05-27 11:00  Online seminar  Current Status and Future Plans of ADMX file
323 2015-07-23 13:30  E4, B401  Enhanced ZnO based UV photonics and related applications file
322 2020-10-15 16:00  CAPP Seminar Room #C303, Creation Hall (3F), KAIST Munji Campus  Graphene-based Josephson junction microwave bolometer file
321 2022-06-03 11:00  E6-2 #1323  (응집물리 세미나) Theoretical Investigation of Exotic Quantum States in Low-dimensional Materials
320 2023-03-27 15:00  CAPP Seminar Room C303, Creation Hall, KAIST Munji Campus  A coherent mechanical oscillator pumped by a suspended quantum dot file
319 2022-09-21 16:00  College of Natural Science E6-2, Rm. 1323  Materials and Device Nanofabrication of Optical Metasurfaces file
318 2023-11-01 16:00  E6-2, #2502  [High Energy Theory Seminar] Modular functions and 3D N=4 rank-zero superconformal field theories
317 2019-02-21 16:00  #5313, E6-2  B-meson charged current anomalies - Theoretical status file
316 2023-03-30 16:00  CAPP Seminar Room C303, Creation Hall, KAIST Munji Campus  Detecting axions with chiral magnetic effects file
315 2019-09-18 16:00  Seminar Room #1323  Fall 2019: Physics Seminar Serises file
314 2016-03-07 16:00  E6, 1501  Physics Colloquium : 2016 Spring file
313 2023-11-15 16:00  E6-6, #119  Quantum hydrodynamic theory for plasmonics: from molecule-coupling to nonlinear optics
312 2022-10-04 16:00  E6 #2501  Distinguishing 6d (1, 0) SCFTs
311 2015-03-04 12:00  1323호, E6-2  Bioimaging and Biosensing Using Near-Infrared Fluorescence file
310 2019-05-03 11:00  E6-2. 2st fl. #2502  Exotic Magnetism file
309 2014-12-22 14:00  E6, Rm1319  Dynamics of molecular motors: Power stroke vs Brownian ratchet file
308 2019-05-30 16:00  #1323, E6-2  Tuning the excitonic properties of semiconductors with light-matter interactions file