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)
505 2012-04-02 16:00    A new route to ferroelectricity in magnetic spinels: a case of Co2MnO4
504 2024-11-18 10:30    Manipulation of antiferromagnetic magnon polarization in synthetic antiferromagnets
503 2020-12-10 13:55    Consistency of Boltzmann equation and light dark matter from inflaton decay
502 2016-09-05 16:00    Physics Colloquium : 2016 Fall file
501 2024-07-03 16:00    [High Energy Theory Seminar] Holographic duals of Higgsed Dpb(BCD)
500 2021-01-28 15:00    Topological Transport of Deconfined Hedgehogs in Magnets file
499 2018-12-26 16:00    Informal Workshop on Topology and Correlation file
498 2021-06-22 17:00    Spintronics meets Quantum Materials file
497 2024-12-06 16:00  Vladimir Y. Chernyak  Bright Squeezed Light (BSL) Spectroscopy with Interferometry from First Principles
496 2021-06-08 10:00    Photonic crystal devices for sensing file
495 2023-06-30 11:00    The Dual Mode Quantum Computer file
494 2023-11-29 10:00    [High Energy Theory Seminar] Averaged null energy and the renormalization group
493 2020-09-14 17:30    KAIST Global Forum for Spin and Beyond (Third Forum) file
492 2024-11-13 12:00    [11/13(수) 물리학과 세미나 안내] Separability as a window to mixed-state quantum phases and phase transitions / Tarun Grover (UC San Diego, Associate Professor)
491 2022-11-03 13:00    [High-Energy Theory Seminar] Supersymmetric observables via Fermi-gas method
490 2024-10-31 13:00    Mini-workshop on first-principles DFT methods and applications
489 2019-07-08 14:00    Ultrabroadband squeezed pulses and their relation to relativity file
488 2023-04-05 16:00    [High Energy Theory Seminar]Anomalies of Discrete 1-Form Symmetries in QCD-like Theories
487 2024-03-27 16:00    [High Energy Theory Seminar] The Callan Rubakov Effect
486 2023-02-20 17:00    (Optics Seminar) Neural Holography for Next generation Virtual and Augmented Reality Displays file