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
431 2018-05-31 16:00    Dynamic control of optical properties with gated-graphene metamaterials file
430 2023-05-17 16:30    Detecting Hidden Photon Dark Matter via the Excitation of Qubits file
429 2023-02-20 16:00    Physics of ferromagnet/superconductor junctions
428 2025-02-17 16:00  Prof. Takehito Yokoyama  Unconventional spin-spin interaction mediated by Cooper pairs or phonons file
427 2018-11-22 15:00    Experimental and Computational Study on Physical Properties based on Granular System file
426 2021-02-17 09:00    석학 대중 강연 및 강의 시리즈 file
425 2019-04-04 16:00    Chiral spin-photon interaction at nanoscale file
424 2023-11-22 10:00    [High Energy Theory Seminar] Exact Quantum Algorithms to Recognize Quantum Phases of Matter
423 2019-05-24 16:00    Infrared spectroscopy study on metal-insulator transitions in layered perovskite iridates file
422 2023-06-16 13:00    Quantum critical states under extreme conditions
421 2019-12-05 16:00    Subwavelenth Photonic Devices: From Single Photon Sources to Solar Cell file
420 2018-10-04 16:00    Engineering light absorption in an ultrathin semiconductor metafilm file
419 2019-07-10 16:00    Public Lectures file
418 2019-07-16 16:00    2019 Physics Distinguished Lecture file
417 2019-12-18 16:00    Road to Higher Tc Superconductivity file
416 2016-06-14 15:00    No-Insulation High Temperature Superconductor Magnet Technology for Compact, Reliable, and Low-Cost High Field DC Magnets
415 2018-11-21 15:00    Engineering topological quantum physics at the atomic scale file
414 2022-04-08 11:00    (응집물리 세미나) Flat-surface-assisted physical phenomena occurring in single crystal metal thin film file
413 2019-10-29 10:00    Unconventional Spin Transport in Quantum Materials file
412 2021-02-02 14:30    Quantum- & Nano-Photonics 세미나(Integrated Nanophotonics with Metamaterials, Microcomb, and Atomic Systems) file