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 Sep.22 2022  E6-1 #1323    2022 가을학기 응집물리 및 광학 세미나 전체 일정
341 2016/09/05-12/12 4PM  Natual Scien Bldg.(E6)m #1501  Yeong Kwan Kim 외  Physics Colloquium : 2016 Fall file
340 May 19, 2016 (Thur.) 3PM  May 19, 2016 (Thur.) 3PM,  Dr. Michael Betz, CERN  The CERN Resonant WISP Search: Development, Results and Lesson-Learned
339 2017.1.9(Mon), 4PM  Lecture Hall, College of Natural Sciences [#1501,E6-2]  Prof. John Michael Kosterlitz, Brown University  Topological Defects and Phase Transitions" file
» 4월 18일(월), 15:30~  KI빌딩(E4), 강의실 B501 (5F)  Prof. Robert A. DiStasio Jr. (Cornell University)  First Principles Approaches for Intermolecular Interactions: From Gas-Phase Dimers to Liquid Water and Molecular Crystal Polymorphism file
337 2014/05/28, PM5  KI Building, Matrix Hall  이웅범 대표이사(LG이노텍)  부품소재산업이 미래다
336 Aug. 9 (Tue), 14:00 PM  KI building (E4), Lecture Room Red (B501)  Dr. YoungChan Kim (Quantum Biophotonics Group, University of Surrey, UK)  Quantum biology in fluorescent protein: a new model system to study quantum effects in biology file
335 Jan. 18(Tue), 2pm-3pm  KI bldg. 5th fl. Room B501 & Zoom  YoungJu Jo (Stanford University)  Data-driven interrogation of biological dynamics: from subcellular interactions to neuronal networks in vivo file
334 Aug. 4, 2016 (Thu.), 2:30 pm  KAIST Natural Science Building (E6-5), EDU 3.0 Room(1st fl.)  Prof. Argyris Nicolaidis  Relational Logic (with applications to Quantum Mechanics, String Theory, Cosmology, Neutrino Oscillations, Statistical Mechanics)
333 April 4, 2016 (Mon) - April 8, 2016 (Fri)  KAIST Natural Science Building (E6-2), RM #4314  Dr. Fritz Caspers (CERN)  Radio frequency engineering
332 2015/10/14, 6PM  KAIST Munji Campus Supex Hall  이창환 교수 (부산대학교 물리학과)  인터스텔라 영화 속의 물리 file
331 #1323(E6-2. 1st fl.)  Jul. 10th (Mon), 4pm  Dr. Duk Young Kim Los Alamos National Laboratory  “Intertwined Orders in a Heavy-fermion metal” file
330 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
329 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
328 Oct. 16 (Fri.), 02:30 PM  https://kaist.zoom.us/j/89198078609  Dr. Chulki Kim  Nanoscale magnetic resonance detection towards nano MRI file
327 Oct 9 (Fri), 09:00 AM  https://kaist.zoom.us/j/85161896513?pwd=U3pwWFFZaWVRamxDZUR5REhNeVk0UT09  Prof. Tim Hsieh (Perimeter Institute)  Quantum Many-Body Simulation file
326 October 15, 5:00pm  https://bit.ly/3ndIiJn  Dr. Samuli Autti  Time crystals, quasicrystals, and time crystal dynamics in the superfluid universe file
325 May 13 (Fri.), 1:30 PM  E6. #1501(1st fl.)  Dr. Young-Woo Son, Dept. of Physics, KIAS  Aperiodic crystals in low dimensions
324 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
323 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
322 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