visual
visual

세미나

  • HOME
  • >
  • 소식
  • >
  • 세미나
날짜 2016-04-18 15:30 
일시 4월 18일(월), 15:30~ 
장소 KI빌딩(E4), 강의실 B501 (5F) 
연사 Prof. Robert A. DiStasio Jr. (Cornell University) 

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 장소 제목
172 2023-11-22 16:00  E6-2, #2502  [High Energy Theory Seminar] Renormalization and the Hierarchy Problem
171 2018-12-16 16:00  E6-2. 1st fl. #1323  Lectures on 2d Conformal Field Theory file
170 2018-06-14 10:00  E6-2, 2nd fl. #2502  Phonons and polariton-like particles in trapped ions for quantum computation and quantum simulation file
169 2018-10-24 10:30  E6-1, Lecture Room 1501(1F)  Photonic integration of next-generation clocks and Hertz-absolute-accuarcy optical frequenncy synthesizers file
168 2020-02-12 13:00  E6-2, #5318  From inflation to new weak-scale file
167 2019-05-09 16:00  #1323, E6-2  Quantum Optical Sensing Using Single Photons And Single Photon Emission from Single Emitters file
166 2019-05-09 16:00  #1323, E6-2  Quantum Optical Sensing Using Single Photons And Single Photon Emission from Single Emitters file
165 2022-05-20 11:00  E6-1 #1323  (응집물리 세미나) Exploration of new polymorphs in van der Waals crystals
164 2019-11-28 16:00  #1323, E6-2  Generation of coherent EUV emissions using ultrashort laser pulses file
163 2023-08-24 11:00  E6, Rm#1323  Advancing magnonic metamaterials: spin waves in nanomagnetic arrays
162 2016-04-19 14:00  #1323(E6-2. 1st fl.)  Nonlocal collisional electron transport in partially ionized plasma generation, structure, and stability
161 2021-04-09 10:00  Zoom webinar  Integrated Lithium Niobate Photonics file
160 2018-09-07 15:00  학술문화관 (E9), 2층 양승택 오디토리움  Recent developments in density functional theory: From new functionals to the nature of the chemical bond file
159 2023-07-20 16:00  CAPP Seminar Room C303, Creation Hall, KAIST Munji Campus  [CAPP Seminar] Cosmoparticle Physics of Dark Universe file
158 2016-11-10 16:00  E6-2. #1323(1st fl.)  Low Dimensional Active Plasmonics and Electron Optics in Graphene
157 2015-06-03 12:00  Room 101, E11  The First Wednesday Multidisciplinary Forum file
156 2019-06-04 17:00  #1323, E6-2  Stochastic nature of bacterial eradication using antibiotics file
155 2023-09-27 16:00  E6, Rm#2501  Chiral Magnets: Domain-Wall Skyrmions and String Theory Realization
154 2018-12-27 16:00  E6-2. 1st fl. #1323  Quantum Innovation (QuIN) Laboratory file
153 2019-10-17 16:00  #1323, E6-2  Top down manipulation of Waves : From Metamaterials, Correlated Disorder, Quantum Analogy, to Digital Processing file