visual
visual

세미나

  • HOME
  • >
  • 소식
  • >
  • 세미나
날짜 2016-04-18 15:30 
연사  
장소 KI빌딩(E4), 강의실 B501 (5F) 

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 날짜 연사 제목
공지 2025-02-24 16:00    2025년 봄학기 콜로키움 안내
공지 2025-02-27 16:00    2025년 봄 물리학과 특별세미나 (광학/응집물리 분야)
366 2025-04-29 16:00  Dr. Tokuro Shimokawa (Okinawa Institute of Science and Technology)  Can experimentally-accessible measures of entanglement distinguish quantum spin liquid and random singlet phases? file
365 2018-10-16 10:00    Capturing protein cluster dynamics and gene expression output in live cells file
364 2023-02-28 11:00    Topotactic redox engineering toward novel material file
363 2022-11-10 16:00    Probing the Origin of Cosmic Infrared Background and Future Prospects with SPHEREx
362 2015-11-10 16:00    Rapid heating of matter using high power lasers
361 2015-12-01 16:00    Introducing extra dimensions to spectroscopic studies of advanced quantum materials
360 2025-04-29 10:00  Dr. Yeonju Go (Brookhaven National Laboratory)  Exploring the Hottest Matter in the Universe: Quark-Gluon Plasma through Hard Probes and Artificial Intelligence file
359 2023-04-13 11:00    [High Energy Theory Seminar]Noninvertible Gauss Law and Axions
358 2023-12-14 16:00    Superconducting qubits for large-scale quantum computers file
357 2016-09-02 14:30    Nanoscale Thermal Physics: Seebeck Effect and Nanoscale Friction
356 2016-09-02 16:00    Quantum Electrical Transport in Topological Insulator Nanowires
355 2018-10-15 16:00    Universal properties of macroscopic current-carrying systems file
354 2018-04-11 13:30    Probing 3D Structure and Physical Properties of Materials at the Single-Atom Level file
353 2022-06-10 11:00    Record-quality two-dimensional electron systems file
352 2022-05-13 16:00    High-fidelity iToffoli gate for fixed-frequency superconducting qubits file
351 2017-05-12 13:30    Topological Dirac insulator
350 2025-07-03 14:00  Dr. Young-Gwan Choi (Max Planck Institute )  Quantum sensing with NV centers: nanoscale magnetometry file
349 2018-04-11 16:00    Non-Gaussian states of multimode light generated via hybrid quantum information processing file
348 2016-05-13 13:30    Aperiodic crystals in low dimensions
347 2022-08-09 14:00    Quantum biology in fluorescent protein: a new model system to study quantum effects in biology file