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
139 2014/12/22, 2PM  E6, Rm1319  Prof. Changbong Hyeon (KIAS)  Dynamics of molecular motors: Power stroke vs Brownian ratchet file
138 October 24 (Wed.), 10:30 AM  E6-1, Lecture Room 1501(1F)  Prof. Kerry J. Vahala  Photonic integration of next-generation clocks and Hertz-absolute-accuarcy optical frequenncy synthesizers file
137 DEC. 26 (Wed), 04:00 PM  E6-1. 3rd fl. #3434  Y. Kim, A. Go, K. Hwang and E.-G. Moon  Informal Workshop on Topology and Correlation file
136 Oct. 10(Tue) 4PM  E6-2 #1323  김성웅 교수 (성균관대학교 에너지과학과)  Discovery of New 2D Materials with Diverse Physical Properties
135 Sep. 29th(Thu), 4PM  E6-2 #1323 (1st floor)  Dr. Sangyoon Han, Department of Physics, KAIST  Large-scale Silicon Photonic MEMS Switches
134 Sep. 02(Fri) 4:00 PM  E6-2(1st fl) #1323  Dr. Yong-Joo Doh, Department of Physics and Photon Science, GIST  Quantum Electrical Transport in Topological Insulator Nanowires
133 Sep. 02(Fri) 2:30 PM  E6-2(1st fl.), #1323  Dr. Yong-Hyun Kim,Graduate School of Nanoscience and Technology, KAIST  Nanoscale Thermal Physics: Seebeck Effect and Nanoscale Friction
132 Jun 28, 14:00  E6-2, #1322  Dr. Bongjae Kim, Dr. Sooran Kim, Dr. Jeongwoon Hwang  1st Research-exchange meeting of computational material physics file
131 2015/11/10, 4PM  E6-2, #1323  Dr. Woosuk Bang (Physics division, Los Alamos National Laboratory)  Rapid heating of matter using high power lasers
130 2015/11/19, 4PM  E6-2, #1323  Dr. Daesu Lee (University of Wisconsin-Madison)  Emergent Collective Phenomena and Functions at Reduced Dimensions
129 2015/12/09, 2PM  E6-2, #1323  Arjun G. Yodh (University of Pennsylvania)  SWELLABLE COLLOIDAL PARTICLES ARE SWELL
128 2015/12/02, 4PM  E6-2, #1323  Dr. Dae-Jeong Kim (Dept. of Physics and Astronomy, University of California, Irvine)  Samarium Hexaboride: Is it a Topological insulator?
127 2015/12/03, 4PM  E6-2, #1323  Dr. Sang-Yun Lee (3rd institute of Physics, University of Stuttgart, Germany)  Hybrid solid state spin qubits in wide bandgap semiconductors
126 2015/11/24, 4PM  E6-2, #1323  Dr. Kab-Jin Kim (Institute for Chemical Research, Kyoto University, Japan)  Topology-based understanding of spin dynamics in inhomogeneously magnetized systems
125 2015/11/23, 1:30PM  E6-2, #1323  Dr. Michael Park (Stanford University)  What's Beyond the Standard Model? Lessons from Run I and what might come in Run II
124 2015/11/28, 10AM  E6-2, #1323  Dr. Suyong Jung (Korea Research Institute of Standards and Science)  Electron Tunneling Spectroscopy of Single and Bilayer Graphene with Hexagonal Boron Nitride as Tunneling Barrier
123 2015/12/01, 4PM  E6-2, #1323  Dr. Yeong Kwan Kim(Lawrence Berkeley National Laboratory, USA)  Introducing extra dimensions to spectroscopic studies of advanced quantum materials
122 2015/12/11, 1:30PM  E6-2, #1323  Dr. KwangYong Choi  (Chung-Ang University)  Quantum spin liquid in the 1/3 depleted triangular lattice Ba3(Ru1-xIrx)Ti2O9
121 2015/12/11, 3:45PM  E6-2, #1323  Dr. Ji Hun Sim (POSTECH)  Dynamical mean field theory studies on heavy fermion system
120 2016/1/11, 4PM  E6-2, #1323  Dr. B.J.Kim (Max Planck Institute for Solid State Research)  Mott Physics in the Strong Spin-Orbit Coupling Regime