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)
405 2023-08-24 11:00    Advancing magnonic metamaterials: spin waves in nanomagnetic arrays
404 2024-05-28 10:00    Mixed-State Quantum Spin Liquids and Dynamical Anyon Condensations in Kitaev Lindbladians
403 2019-11-28 16:00    Generation of coherent EUV emissions using ultrashort laser pulses file
402 2022-05-20 11:00    (응집물리 세미나) Exploration of new polymorphs in van der Waals crystals
401 2019-05-09 16:00    Quantum Optical Sensing Using Single Photons And Single Photon Emission from Single Emitters file
400 2019-05-09 16:00    Quantum Optical Sensing Using Single Photons And Single Photon Emission from Single Emitters file
399 2020-02-12 13:00    From inflation to new weak-scale file
398 2025-05-22 14:30  Prof. Keun Su Kim (The Univ. of Yonsei)  Sublattice-interference model for Fermi arcs in cuprates file
397 2018-10-24 10:30    Photonic integration of next-generation clocks and Hertz-absolute-accuarcy optical frequenncy synthesizers file
396 2018-06-14 10:00    Phonons and polariton-like particles in trapped ions for quantum computation and quantum simulation file
395 2018-12-16 16:00    Lectures on 2d Conformal Field Theory file
394 2023-11-22 16:00    [High Energy Theory Seminar] Renormalization and the Hierarchy Problem
393 2024-08-22 16:00    [CAPP seminar] Development of a 12-20 GHz CO Intensity Mapping Receiver for Capturing the Star-formation History in the Early Universe file
392 2022-12-20 16:00    Getting into Biology and Medicine as Physicist
391 2019-03-26 15:00    Consideration of thermal Hall effect in frustrated and un-frustrated quantum magnets file
390 2022-06-03 09:30    (Quantum-&Nano-Photonics Webinar) Seeing glass in a new light: reimagine chalcogenide photonics file
389 2018-10-11 16:00    Dirac electrons in a graphene quasicrystal file
388 2019-10-29 14:30    Quantum sensing file
387 2025-05-02 11:00  Prof. Joonho Jang  Anderson localization of electrons in a moire-of-moire lattice of helical twisted trilayer graphene file
386 2019-05-02 16:00    Anomalous optical properties of halide perovskites file