• 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(, 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
공지 2022-10-24 16:00  E6 #1501(공동강의실)  Physics Colloquim(Fall 2022)
공지 2022-09-21 10:30  E6-1 #1501  [Update 세미나 영상] Distinguished Lecture 'The Magic of Moiré Quantum Matter' Prof. Pablo Jarillo-Herrero(Department of Physics, MIT)
공지 2022-10-28 11:00  E6-2 #1323  [Update 세미나영상] (응집물리 세미나) Machine-Learning-Guided Prediction models and Materials discovery for high Tc cuprates
공지 2022-10-07 11:00  E6-2 #1323  [Update 세미나 영상] (응집물리 세미나) Competing orders in a vanadium-based kagome metal monolayer
공지 2022-09-23 11:00  E6-2 #1323  [Update 세미나 영상] (응집물리 세미나) Steady Floquet-Andreev states in graphene Josephson junctions
공지 2022-09-22 11:00  E6-1 #1323  2022 가을학기 응집물리 및 광학 세미나 전체 일정
339 2018-05-31 16:00  #1323, E6-2  Dynamic control of optical properties with gated-graphene metamaterials file
338 2018-05-29 16:00  #1323, E6-2  Investigation on metal nanostructure/semiconductor junction and its applications file
337 2018-05-09 16:00  #1323, E6-2  Recent advances in thermoelectric bulk composites file
336 2019-09-18 16:00  Seminar Room #1323  Fall 2019: Physics Seminar Serises file
335 2016-10-17 11:00  #1323,(E6-2, 1st fl.)  IMS and examples of the studies on optoelectronic materials
334 2019-09-02 16:00  Seminar Room 1501  Fall 2019: Physics Colloquium file
333 2016-04-28 15:00  #2501(E6-2. 2nd fl.)  Lattice/Spin/Charge Coupling in 5d Pyrochlore Cd2Os2O7
332 2019-12-13 13:00  #2501, E6-2  Computational Material Designs: Current Status and Future Directions file
331 2018-04-06 10:00  #2502, E6  Entanglement and thermalization in many-body systems: recent progress file
330 2019-09-10 15:00  #2502, E6-2  (2+1) D Duality Web from 3D Euclidean Lattice file
329 2019-06-27 14:00  #2502, E6-2  Gapless Kitaev Spin Liquid to Loop and String Gases file
328 2019-11-20 16:00  #5302, E6-2  Correlation between superconducting transition temperature and critical current density in irradiated iron-based superconductors file
327 2019-02-21 16:00  #5313, E6-2  B-meson charged current anomalies - Theoretical status file
326 2017-11-08 13:00  #5318 (E6-2. 5th fl.)  “Emergent exotic quasiparticles in quantum spin liquids” file
325 2016-11-18 10:30  #5318(5th fl.)  Non-equilibrium many-body spin dynamics in diamond
324 2017-08-31 14:00  #5318(E6-2. 5th fl.)  “Berry phase and nonlinear response: photocurrent in noncentrosymmetric insulators and Weyl semimetals” file
323 2019-12-27 15:00  #5318, E6-2  The superconducting order parameter puzzle of Sr2RuO4 file
322 2019-05-21 16:00  #5318, E6-2  Classification of flat bands according to the band-crossing singularity of Bloch wave functions file
321 2018-02-12 15:00  #C303, (Creation Hall 3F, KAIST Munji Campus)  The recent result of XMASS Experiment
320 2020-10-15 16:00  (  Towards resource-efficient and fault-tolerant quantum computation with nonclassical light