visual
visual

세미나

  • HOME
  • >
  • 소식
  • >
  • 세미나
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
공지 2019/09/18 - 12/5  Seminar Room #1323  Prof. David Schuster and etc.  Fall 2019: Physics Seminar Serises
공지 2019/09/02 - 12/09  Seminar Room 1501  이호성 박사 (한국표준과학연구원) and etc.  Fall 2019: Physics Colloquium
81 Nov. 9 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Pilkyung Moon  Moiré superlattices – from twisted bilayer graphene to quasicrystal file
80 Nov. 9 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Donghun Lee  Quantum sensing and imaging with diamond defect centers for nano-scale spin physics file
79 Dec. 7 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Gyung Min Choi  Spin generation from heat and light in metals file
78 Dec. 7 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Joon Ho Jang  Novel probes of interacting electrons in 2D systems file
77 DEC. 11 (Tue), 04:00 PM  E6-2. 1st fl. #1323  Prof. Hiroshi Shinaoka  Natural compact representation of Matsubara Green’s functions: applications to analytic continuation and quantum many-body simulations file
76 DEC. 16~18 (Sun~Tue)  E6-2. 1st fl. #1323  Prof. Keisuke Totsuka  Lectures on 2d Conformal Field Theory file
75 Dec. 26 (Wed.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Isaac H. Kim  Brane-like defect in 3D toric code file
74 DEC. 27 (Thu), 04:00 PM  E6-2. 1st fl. #1323  Prof. Na Young Kim  Quantum Innovation (QuIN) Laboratory file
73 Mar. 29 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Seung Hyub Baek  Epitaxial Multifunctional Oxide Thin Films for Novel Electronics file
72 Mar. 29 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Taeyoung Choi  Coherent Quantum Control and Magnetism on atoms – Trapped ion and ESR STM file
71 Apr. 19 (Fri.), 04:00 PM  E6-2. 1st fl. #1323  Dr. Seok Kyun Son  Graphene and hBN heterostructures file
70 Apr. 19 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. YoungWoo Nam  A family of finite-temperature electronic phase transitions in graphene multilayers file
69 Sep. 10 (Tue.), 03:00 PM  E6-2. 1st fl. #1323  Dr. Mikhail Kiselev  Two-Stage Kondo Effect file
68 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
67 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
66 Nov. 1 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. YoungWook Kim  Squeezing the best out of 2D materials file
65 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
64 2016/03/11 1:30 PM  E6-2. 1st fl. #1501  Dr. Kwon Park  Topological phases of matter in nonequilibrium: Topology of the Wannier-Stark ladder
63 2016/03/11 4 PM  E6-2. 1st fl. #1501  Dr. Tae-Hwan KIM (POSTECH)  Jan. Switching handedness of of chiral solitons in Z4 topological insulators
62 Apr. 01 (Fri.) 2:30 PM  E6-2. 1st fl. #1501  Dr. KICHEON KANG, Chonnam National University  Interference of single charged particles without a loop and dynamic nonlocality