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 2015-09-15 16:00    Physics Colloquium : 2014 Fall file
544 2022-03-14 16:00    Quantitative phase imaging and artificial intelligence: label-free 3D imaging, classification, and inference
543 2023-04-27 16:00    (광학분야 세미나)On-chip spectrometers based on CMOS image sensors
542 2021-05-27 16:00    찾아가는 물리연구 현장(유럽 입자물리학연구소 소개) file
541 2016-03-11 13:30    Physics Seminar Serises : 2016 Spring file
540 2022-11-03 16:00    (광학분야 세미나) Single-photon emission from low-dimensional materials
539 2015-09-07 16:00    Physics Colloquium : 2015 Fall file
538 2025-03-28 11:00  명노준 교수 (조선대)  Quantum Transport in Strained-Engineered Graphene: Mesoscopic Perspective of Tunable Quantum Information Devices file
537 2025-05-15 16:00  노찬 박사(KAIST)  Generation of multimode Gaussian quantum states and their applications for quantum computing file
536 2022-04-11 16:00    Emergence of Statistical Mechanics in Quantum Systems
535 2022-04-04- 16:00    New paradigms in Quantum Field Theory
534 2022-05-09 16:00    Searching for new electronic properties in correlated material flatland
533 2022-05-23 16:00    Novel electronic transport in topological van der Waals magnets
532 2011-09-03 16:00    Physics Colloquium : 2011 Fall file
531 2022-10-13 16:00    (광학분야 세미나) Ultrafast Optics for Ultra-Precision Metrology and Realization of Flexible/Stretchable Laser-Induced-Graphene Electronics
530 2020-11-12 16:00    2020 가을학기 광학분야 특별세미나
529 2022-10-07 11:00    [Update 세미나 영상] (응집물리 세미나) Competing orders in a vanadium-based kagome metal monolayer file
528 2022-10-28 11:00    [Update 세미나영상] (응집물리 세미나) Machine-Learning-Guided Prediction models and Materials discovery for high Tc cuprates file
527 2017-10-10 16:00    Discovery of New 2D Materials with Diverse Physical Properties
526 2023-04-06 16:00    (광학분야 세미나)Nanophotonics-based approaches to explore Berry physics