Place
Chiba University
Nishi-Chiba campus
Science and Technology Building II (T18,自然科学系総合研究棟２, Bldg 9 on map)
2nd Floor, Multimedia Lecture Room
Scope
Kirkwood-Buff theory is a cornerstone of statistical mechanics of liquids and solutions. It relates volume integrals over the pair-distribution function, so-called Kirkwood-Buff integrals (KBI), to particle number fluctuations and thereby to various thermodynamics quantities such as the isothermal compressibility and molar volumes.
Recently the field has seen a strong revival with breakthroughs in the numerical computation of the KBIs and
appplications to complex systems including bio-molecules.
The purpose of this workshop is to bring together leading experts in Kirkwood-Buff theory and applications
from Japan and abroad, for keeping abrest with the latest developments and discussing future avenues.
Invited speakers
| Jean-Marc Simon | | U. Burgundy, Dijon, France
|
| Shuntaro Chiba | | Riken, Yokohama, Japan
|
| Sondre Schnell | | N.T.N.U. Trondheim, Norway
|
| Noura Dawass | | T.U. Delft, The Netherlands
|
Organisation: Peter Krüger (chair), Jean-Marc Simon.
Secretary: Yuri Shinozuka
Program
Monday, 20 May 2019, 13:15-17:30
| Time | Speaker | Title
| | 13:15 | (P. Krüger) | Opening address
|
| 13:20 | Noura Dawass | Kirkwood-Buff integrals from molecular simulation
|
| 14:00 | Jean-Marc Simon | Kirkwood-Buff Integrals and Nano-Thermodynamics: application to chemically constrained systems
|
| 14:40 | Shuntaro Chiba | KBI derived from MD simulations using a polarizable force field
|
| 15:20 | | Coffee break
|
| 15:40 | Sondre Schnell | pykbi: an open source Python approach to solving Kirkwood-Buff integrals
|
| 16:20 | Peter Krüger | Generalization of KBI theory to solids
|
| 17:00 | | Round table on future developments of KBI theory
|
| 17:25 | (J.-M. Simon) | Closing remarks
|
|
|
abstracts
18:00-20:00 workshop dinner
