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
116 2016-04-08 16:00  E6-2. 5st fl. #1501  Spectroscopic studies of iron-based superconductors : what have we learned?
115 2022-12-20 16:00  E6-2.1st fl. #1323 & zoom  Studying Baryonic Flow Across the Cosmic Scales Using Radio and Millimeter Wavelength Experiments
114 2022-08-17 11:00  E6-6 #118호  Robust Hamiltonian Engineering of Large Quantum Systems (큰 양자시스템의 견고한 해밀토니안 엔지니어링)
113 2023-06-30 11:00  E6-6 #1501  The Dual Mode Quantum Computer file
112 2023-05-22 13:00  E6-6 119  Design & Development of Electrochemical Biosensors for the Detection of T2DM Biomarkers
111 2023-11-15 16:00  E6-6, #119  Quantum hydrodynamic theory for plasmonics: from molecule-coupling to nonlinear optics
110 2023-06-23 11:00  E6-6, #119  Visualizing orbital quantum phenomena at room temperature
109 2020-02-13 16:30  E6-6, #119  Enhanced Light-Matter Interactions in Graphene with Noble Metal Plasmonic Structures file
108 2018-06-22 10:00  E6-6, Lecture Room 119 (1F)  Success in Research Career file
107 2016-05-13 13:30  E6. #1501(1st fl.)  Aperiodic crystals in low dimensions
106 2016-05-13 16:00  E6. #1501(1st fl.)  Graphene analogue in (111)- BaBiO3 bilayer heterostructures for topological electronics
105 2020-10-15 17:00  https://bit.ly/3ndIiJn  Time crystals, quasicrystals, and time crystal dynamics in the superfluid universe file
104 2020-10-09 09:00  https://kaist.zoom.us/j/85161896513?pwd=U3pwWFFZaWVRamxDZUR5REhNeVk0UT09  Quantum Many-Body Simulation file
103 2020-10-16 14:30  https://kaist.zoom.us/j/89198078609  Nanoscale magnetic resonance detection towards nano MRI file
102 2020-10-16 16:00  https://kaist.zoom.us/j/89198078609  Hidden room-temperature ferroelectricity in CaTiO3 revealed by a metastable octahedral rotation pattern file
101 2017-04-06 16:00  IBS CAPP seminar room, Creation Hall (3F), KAIST Munji Campus  For whom the Belle tolls
100 2017-07-10 16:00  Jul. 10th (Mon), 4pm  “Intertwined Orders in a Heavy-fermion metal” file
99 2015-10-14 18:00  KAIST Munji Campus Supex Hall  인터스텔라 영화 속의 물리 file
98 2016-04-04 09:30  KAIST Natural Science Building (E6-2), RM #4314  Radio frequency engineering
97 2016-08-04 14:30  KAIST Natural Science Building (E6-5), EDU 3.0 Room(1st fl.)  Relational Logic (with applications to Quantum Mechanics, String Theory, Cosmology, Neutrino Oscillations, Statistical Mechanics)