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
190 May 31 (Tue.) 4 PM  #1323(E6-2, 1st fl.)  Dr. Kimin Kim, KAIST  Understanding 3D tokamak physics towards advanced control of toroidal plasma
189 May 31 (Fri.), 11:00 AM  #1323, E6-2  Prof. Guido Burkard  Cavity QED with Spin Qubits file
188 May 30 (Thu.), 16:00 PM  #1323, E6-2  Prof. Chang-Hee Cho  Tuning the excitonic properties of semiconductors with light-matter interactions file
187 May 29 (Tue.), 04:00 PM  #1323, E6-2  Prof. Jae-Won Jang  Investigation on metal nanostructure/semiconductor junction and its applications file
186 May 24 (Tue) 4 PM  E6-2. #1323(1st fl.)  Dr. Euyheon Hwang, SKKU Advanced Institute of Nanotechnology, Sung Kyung Kwan University  Electronic and magnetic properties of 2D transition-metal thiophosphates and tunability of magnetic order with carrier density
185 May 24 (Fri.), 16:00 PM  #1323, E6-2  Prof. Soonjae Moon  Infrared spectroscopy study on metal-insulator transitions in layered perovskite iridates file
184 May 21 (Tue.), 4:00 PM  #5318, E6-2  임준원 박사  Classification of flat bands according to the band-crossing singularity of Bloch wave functions file
183 May 2 (Thu.), 4:00 PM  #1323, E6-2  Prof. Joon Ik Jang  Anomalous optical properties of halide perovskites file
182 May 19, 2016 (Thur.) 3PM  May 19, 2016 (Thur.) 3PM,  Dr. Michael Betz, CERN  The CERN Resonant WISP Search: Development, Results and Lesson-Learned
181 May 19 (Thu) 4PM  #1323(E6-2, 1st fl.)  Dr. Heedeuk Shin, POSTECH  Nonlinear/quantum optical effect in silicon nano-photonics
180 May 16, 2016 (Mon) 4PM  #1323(E6-2, 1st Fl.)  Dr. Daniel Bowring , Fermi National Accelerator Laboratory  Tuning microwave cavities with biased nonlinear dielectrics for axion searches
179 May 13 (Fri.), 1:30 PM  E6. #1501(1st fl.)  Dr. Young-Woo Son, Dept. of Physics, KIAS  Aperiodic crystals in low dimensions
178 May 13 (Fri.) 4 PM  E6. #1501(1st fl.)  Dr. Hosub Jin, Dept. of Physics, UNIST  Graphene analogue in (111)- BaBiO3 bilayer heterostructures for topological electronics
177 May 11 (Wed.), 4 PM  E6-2. #1323(1st fl.)  Dr. Bumjoon Kim, Max Planck Institute for Solid State Research  The quest for novel high-temperature superconductors---Prospects and progress in iridates
176 May 1 (Wed), 4:00 PM  #1323, E6-2  Dr. Sungkyun Choi  Raman and x-ray scattering study on correlated electron systems: two case examples file
175 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”
174 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
173 Mar. 29 (Fri.), 02:30 PM  E6-2. 1st fl. #1323  Dr. Seung Hyub Baek  Epitaxial Multifunctional Oxide Thin Films for Novel Electronics file
172 MAR. 26 (TUE), 0300 PM  E6-2. 2st fl. #2501  Prof. Jung Hoon Han  Consideration of thermal Hall effect in frustrated and un-frustrated quantum magnets file
171 Mar. 24 (Fri.), 4:00 PM  #1323 (1st fl. E6-2)  Dr. SangWook Lee  Graphene based nano electronics and nano electromechanics; focusing on precise control of nano structures for studying accurate physical properties