visual
visual

세미나

  • HOME
  • >
  • 소식
  • >
  • 세미나
날짜 2016-04-18 15:30 
연사  
장소 KI빌딩(E4), 강의실 B501 (5F) 

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 연사 제목
공지 2025-02-24 16:00    2025년 봄학기 콜로키움 안내
공지 2025-02-27 16:00    2025년 봄 물리학과 특별세미나 (광학/응집물리 분야)
545 2023-04-28 11:00    Tkachenko wave: From the modern field theory viewpoint
544 2018-10-18 10:00    Understanding membrane protein folding using single-molecule force techniques file
543 2023-07-19 16:00    [High-Energy Theory Seminar]Deriving the Simplest Gauge-String Duality
542 2023-03-02 11:00    Probing Anomalies of Non-Invertible Symmetries with Symmetry TFTs
541 2020-07-02 16:00    An irreversible qubit-photon coupling for the detection of itinerant microwave photons file
540 2015-08-04 11:00    Propagation of ultrasound through two- and three-dimensional strongly scattering media
539 2016-07-07 14:00    Let there be topological superconductors
538 2017-09-22 13:00    Superconductor-metal-insulator transition in thin Tantalum films file
537 2017-06-02 14:30    Quasiparticle Interference and Fourier transform scanning tunneling spectroscopy in WTe2 (Weyl semimetal) file
536 2016-05-24 16:00    Electronic and magnetic properties of 2D transition-metal thiophosphates and tunability of magnetic order with carrier density
535 2023-06-14 16:00    [CAPP seminar] EMC at CERN file
534 2023-06-15 16:00    [CAPP Seminar] Cryogenic electronics for ion traps file
533 2016-04-04 09:30    Radio frequency engineering
532 2016-11-1 10:30    Time scale dependent dynamics in InAs/InP quantum dot gain media
531 2018-10-25 16:00    Abelian and non-Abelian dark photons file
530 2024-08-14 11:00    Pair Density Waves and Supercurrent Diode Effect in Altermagnets
529 2017-09-22 16:00    Unexpected Electron-Pairing in Integer Quantum Hall Effect file
528 2017-09-22 14:30    Quantum Electronic Transport in Graphene Hybrid Nanostructures file
527 2024-05-14 16:00    [High Energy Theory Seminar] Minimal Production of Prompt Gravitational Waves during Reheating.
526 2018-12-07 14:30    Spin generation from heat and light in metals file