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)
345 2018-03-16 16:00    Van der Waals Heterostructures from Quantum Transport to Ultrafast Optoelectronics file
344 2018-03-16 16:00    Van der Waals Heterostructures from Quantum Transport to Ultrafast Optoelectronics file
343 2015-11-06 16:30    Topological Dirac line nodes in centrosymmetric semimetals
342 2019-04-19 14:30    A family of finite-temperature electronic phase transitions in graphene multilayers file
341 2019-11-01 14:30    Squeezing the best out of 2D materials file
340 2017-09-26 11:00    Time-resolved ARPES study of Dirac and topological materials
339 2016-04-08 13:30    Theoretical Overview of Iron-based superconductors and its future
338 2019-06-28 13:30    Magnetic domains and domain wall conduction in pyrochlore iridate thin films and heterostructures file
337 2016-10-27 16:00    Terahertz Metal Optics
336 2016-11-18 10:30    Non-equilibrium many-body spin dynamics in diamond
335 2022-09-15 13:00    AdS black holes: a review
334 2022-05-18 16:00    Geometry, Algebra, and Quantum Field Theory
333 2022-05-19 16:00    Chasing Long Standing Neutrino Anomalies with MicroBooNE
332 2022-05-12 16:00    New frontiers of electroweak physics at the LHC
331 2024-01-16 16:00    [High Energy Theory Seminar] Towards quantum black hole microstates
330 2024-10-21 13:00    [Physics Seminar] “Non-Hermitian Point-Gap Topology in Junction Systems” file
329 2024-10-14 11:00    [RSVP, Oct 14th Mon] Ambassador of Hungary to Republic of Korea Special Lecture file
328 2019-12-27 15:00    The superconducting order parameter puzzle of Sr2RuO4 file
327 2019-12-27 15:00    The superconducting order parameter puzzle of Sr2RuO4 file
326 2019-09-26 16:00    Entanglement Swapping with Autonomous Polarization-Entangled Photon-Pairs from Warm Atomic Ensemble file