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
447 2021-02-15 17:00  Zoom  Magnetic Cluster Octupole Domain evolutation in chiral antiferromagnets file
446 2012-04-02 16:00  E6, 1501  A new route to ferroelectricity in magnetic spinels: a case of Co2MnO4
445 2020-12-10 13:55  Zoom  Consistency of Boltzmann equation and light dark matter from inflaton decay
444 2016-09-05 16:00  Natual Scien Bldg.(E6)m #1501  Physics Colloquium : 2016 Fall file
443 2021-01-28 15:00  Zoom  Topological Transport of Deconfined Hedgehogs in Magnets file
442 2018-12-26 16:00  E6-1. 3rd fl. #3434  Informal Workshop on Topology and Correlation file
441 2021-06-22 17:00  Zoom webinar  Spintronics meets Quantum Materials file
440 2021-06-08 10:00  Zoom webinar  Photonic crystal devices for sensing file
439 2023-06-30 11:00  E6-6 #1501  The Dual Mode Quantum Computer file
438 2023-11-29 10:00  Zoom  [High Energy Theory Seminar] Averaged null energy and the renormalization group
437 2020-09-14 17:30  Zoom webinar  KAIST Global Forum for Spin and Beyond (Third Forum) file
436 2022-11-03 13:00  E6-2 #1323  [High-Energy Theory Seminar] Supersymmetric observables via Fermi-gas method
435 2019-07-08 14:00  E6, #1322  Ultrabroadband squeezed pulses and their relation to relativity file
434 2023-04-05 16:00  E6-2, #2502  [High Energy Theory Seminar]Anomalies of Discrete 1-Form Symmetries in QCD-like Theories
433 2024-03-27 16:00  E6-2, #2502  [High Energy Theory Seminar] The Callan Rubakov Effect
432 2023-02-20 17:00  KI building (E4), Lecture Room Red (B501)  (Optics Seminar) Neural Holography for Next generation Virtual and Augmented Reality Displays file
431 2024-03-20 16:00  E6-2 #2502  [High-Energy Theory Seminar] Black hole states at finite N
430 2024-01-03 11:00  E6-2, #1323  Interplay of Strong Correlations, Topology, and Disorder in 2D Quantum Matters
429 2023-09-13 16:00  E6-2, #2502  [High Energy Theory Seminar] Cosmic Birefringence from Dark Photon
428 2022-06-23 11:00  E6 Room(#1322)  JILA’s search for the electron’s Electric Dipole Moment (eEDM) to probe physics beyond the standard model file