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
427 2022-01-11 15:00  E6 #1501  Ultrafast optical studies on CDW collective modes of the Weyl-CDW (TaSe4)2I file
426 2024-01-16 14:00  E6-2, #1323  Dimer Physics and Superconductivity in La3Ni2O7
425 2020-02-20 16:00  #1323, E6-2  Unconventional superconductivity in the locally non-centrosymmetric heavy-fermion CeRh2As2 file
424 2023-12-19 16:00  E6-2, #1323  [High Energy Theory Seminar] Non-invertible symmetries, leptons, quarks, and why multiple generations
423 2022-12-13 11:00  E6-2 #1322  Art of thin film engineering toward topological quantum computation file
422 2016-09-29 16:00  E6-2, #1323  2016 Fall, Physics Seminar Serises file
421 2023-01-11 11:00  E6-2 #1323  Directly proving magnetoelastic coupling in a soft ferromagnet using Lorentz 4D-STEM file
420 2021-11-02 16:00  자연과학동(E6-2) #1323  Metrology of Band Topology via Resonant Inelastic X-ray Scattering file
419 2015-07-16 16:00  E6-2, 1501  KAIST Physics Distinguished Lecture
418 2017-11-28 16:00  #1323 (E6-2. 1st fl.)  Physics after the lab and the desk: Your work in PRL file
417 2022-04-15 11:00  Online seminar  (응집물리 세미나) First-principles studies of polar oxides and their applications file
416 2017-04-27 16:00  Seminar Room(#1323, E6-2)  반도체 양자점을 이용한 단광자 광원
415 2019-09-18 16:00  #1323, E6-2  Exploring Synthetic Quantum Matter in Superconducting Circuits file
414 2019-07-25 16:00  E6-2, #1323  Band topology of twisted bilayer graphene file
413 2015-10-16 16:00  E6-2. 2nd fl. #2501  Fluctuations of entropy production in partially masked electric circuits
412 2016-11-01 14:30  Seminar Room #1323(E6-2)  Search for dark sector particles in the B-factory experiments
411 2017-04-06 16:00  IBS CAPP seminar room, Creation Hall (3F), KAIST Munji Campus  For whom the Belle tolls
410 2020-12-23 10:00  Online  Online workshop for Quantitative Phase Imaging file
409 2015-10-23 10:30  E6, #1501  How to write a good scientific paper[Open lecture series]
408 2018-05-17 13:30  E6-2. 1st fl. #1323  Quantum Spin Liquid in Kitaev Materials file