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장소 KI빌딩(E4), 강의실 B501 (5F) 
일시 4월 18일(월), 15:30~ 
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 일시 장소 연사 제목
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76 Nov. 1 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Ju-Jin Kim  Electron transport through weak-bonded contact metal with low dimensional nano-material file
75 Sep. 27 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Joon Sue Lee  Spin-charge conversion in topological insulators for spintronic applications file
74 Dec. 7 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Joon Ho Jang  Novel probes of interacting electrons in 2D systems file
73 October 19 (Fri.), 10:00 AM  #1323, E6-2  Dr. Jongsoo Yoo  Energy conversion processes during magnetic reconnection in a laboratory plasma file
72 Nov. 04 (Fri), 1:30 PM  E6-2. #1323(1st fl.)  Dr. Jonghyun Song, Department of Physics, Chungnam National University  Exotic phenomena at oxide LaAlO3/SrTiO3 hetero-interface and their applications
71 2015/08/03,10:30AM  E6-2, #1323 (Seminar Room)  Dr. Jonghee Yoo (Fermi National Accelerator Laboratory, USA )  Axion Search
70 Apr. 01 (Fri.) 4:15 PM  E6-2. 1st fl. #1501  Dr. JONG SOO LIM, KIAS  Cotunneling drag effect in Coulomb-coupled quantum dots
69 Mar. 2nd (Thu), 4:00 p.m  #1323(E6-2. 1st fl.)  Dr. Jonathan Denlinger, Lawrence Berkeley National Lab  “Progress in the comparison of ARPES to DMFT for d and f strongly correlated electron systems”
68 Dec. 8(Thu) 4p.m.  #1323(E6-2. 1st fl.)  Dr. Jinhyoung Lee, Hanyang University  Dynamical Resonance between Two Optical Cavities via Optomechanical Oscillator
67 Mar. 16 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. JinHee Kim  산화물 다층박막에서의 다양한 물리현상 file
66 Sep. 27 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Jindong Song  0D/1D/2D/3D III-V materials grown by MBE for Optelectronics file
65 Apr.19 (Fri.), 11:00 AM  #1323, E6-2  Dr. Ji-Sang Park  First-principles studies of semiconductors for solar cell applications file
64 2015/12/11, 3:45PM  E6-2, #1323  Dr. Ji Hun Sim (POSTECH)  Dynamical mean field theory studies on heavy fermion system
63 Apr. 28 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. JeongYoung Park Graduate School of EEWS, KAIST  Hot electron generation at surfaces and its impact to catalysis and renewable energy conversion
62 Apr. 12 (Tue.), 4 PM  E6-2. 1st fl. #1323  Dr. Jeehoon Kim, POSTECH  Confinement of Superconducting Vortices in Magnetic Force Microscopy
61 2015/09/07, 3PM  E6-2. 1st fl. #1318  Dr. Jasbinder Sanghera (U.S. Naval Research Laboratory (NRL))  Advanced Optical Materials and Devices at NRL
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58 Dec. 9(Fri), 1:30 p.m.  #1323(E6-2. 1st fl.)  Dr. Jae Yoon Cho, POSTECH  Entanglement area law in strongly-correlated systems