Computational Interfacial Chemistry: What do we do ?

Add to your list(s) Download to your calendar using vCal

• Dr Chao Zhang -Department of Chemistry
• Friday 25 November 2016, 17:45-19:10
• Wolfson College, Gatsby Room.

If you have a question about this talk, please contact Dr Armando Maestro.

Charged interfaces are universally present in energy storage devices, nanofluidic chemical processors, separation techniques and containments treatment in ground water/soil. In spite of a rapid development of experimental techniques, the missing of microscopic understanding imposes a knowledge gap. In this regard, atomistic modeling and simulation can provide complementary information about the structure, dynamics, and energetics of charged interfaces.

In this lecture, I will first talk about basic principles, available approaches, and challenges in atomistic modeling and simulation of charged interfaces. Then, two examples will be discussed. The first one is about revealing the mechanism of fast excess proton migration at water/membrane interface in the context of bioenergetics. The second one is about method developments on the modeling of the dielectric properties (e.g. interfacial capacitance) of charged interfaces, which is highly relevant for electro/geochemical applications.

This talk is part of the Wolfson College Science Society series.

This talk is included in these lists:

• Chris Davis' list
• Featured lists
• Featured talks
• Guy Emerson's list
• Wolfson College Science Society
• Wolfson College Talks & Events
• Wolfson College, Gatsby Room
• custom

Note that ex-directory lists are not shown.