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
105 Apr. 08 (Fri.), 13:30 PM  E6-2. 1st fl. #1501  Dr. Yunkyu Bang, Chonnam National Univ.  Theoretical Overview of Iron-based superconductors and its future
104 2015/10/16, 4PM  E6-2. 2nd fl. #2501  Prof. Yung-Fu Chen(Solid-state Laser Physics Laboratory,National Central University)  Fluctuations of entropy production in partially masked electric circuits
103 2015/09/14, 2PM  E6-2. 2nd fl. #2501  Dr. Hae Ja Lee ( Stanford University, SLAC )  Ultrafast X-ray Studies on Dynamics Matter in Extreme Conditions
102 Jan.9 (Wed.), 04:00 PM  E6-2. 2nd fl. #2501  Dr. Heung-Sik Kim  Molecular Mott state in the deficient spinel GaV4S8 file
101 Jun. 18 (MON), 10:00 AM  E6-2. 2nd fl. #2502  Dr. Thibault VOGT  Rydberg electromagnetically induced transparency and microwave-to-optical conversion using Rydberg atoms file
100 NOV. 23 (Fri), 03:00 PM  E6-2. 2st fl. #2501  Prof. Sang-Jin Sin  Entanglement string and Spin Liquid with Holographic duality file
99 JAN. 7 (Mon), 03:00 PM  E6-2. 2st fl. #2501  Dr. Byoung min Kang  Many-Body Invariants for Multipoles in Higher-Order Topological Insulators file
98 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
97 Sep. 4 (Tue), 02:30 PM  E6-2. 2st fl. #2502  Dr. Changmin Lee, MIT  Ultrafast time- and angle-resolved photoemission spectroscopy (tr-ARPES) with extreme ultraviolet laser pulses file
96 May. 3 (Fri), 11:00 AM  E6-2. 2st fl. #2502  Prof. Changhee Sohn  Exotic Magnetism file
95 Apr. 08 (Fri.), 4:00 PM  E6-2. 5st fl. #1501  Dr. Changyoung Kim, SEOUL NATIONAL UNIV.  Spectroscopic studies of iron-based superconductors : what have we learned?
94 February 13th (Thur.), 16:30 PM  E6-6, #119  Dr. Seyoon Kim(University of Wisconsin-Madison)  Enhanced Light-Matter Interactions in Graphene with Noble Metal Plasmonic Structures file
93 2018. 6. 22 10:00am ~ 11:50am  E6-6, Lecture Room 119 (1F)  Prof. Sang Bok Lee, Dept. of Chemistry and Biochemistry, Univ. of Maryland  Success in Research Career file
92 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
91 May 13 (Fri.), 1:30 PM  E6. #1501(1st fl.)  Dr. Young-Woo Son, Dept. of Physics, KIAS  Aperiodic crystals in low dimensions
90 October 15, 5:00pm  https://bit.ly/3ndIiJn  Dr. Samuli Autti  Time crystals, quasicrystals, and time crystal dynamics in the superfluid universe file
89 Oct 9 (Fri), 09:00 AM  https://kaist.zoom.us/j/85161896513?pwd=U3pwWFFZaWVRamxDZUR5REhNeVk0UT09  Prof. Tim Hsieh (Perimeter Institute)  Quantum Many-Body Simulation file
88 Oct. 16 (Fri.), 02:30 PM  https://kaist.zoom.us/j/89198078609  Dr. Chulki Kim  Nanoscale magnetic resonance detection towards nano MRI file
87 Oct. 16 (Fri.), 04:00 PM  https://kaist.zoom.us/j/89198078609  Dr. Daesu Lee  Hidden room-temperature ferroelectricity in CaTiO3 revealed by a metastable octahedral rotation pattern file
86 April 6, 2017 (Thu), 4:00 pm  IBS CAPP seminar room, Creation Hall (3F), KAIST Munji Campus  Prof. Youngjoon Kwon (Yonsei University)  For whom the Belle tolls