BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Computational Interfacial Chemistry: What do we do ? - Dr Chao Zha
 ng -Department of Chemistry
DTSTART:20161125T174500Z
DTEND:20161125T191000Z
UID:TALK68885@talks.cam.ac.uk
CONTACT:Dr Armando  Maestro
DESCRIPTION:Charged interfaces are universally present in energy storage d
 evices\, nanofluidic chemical processors\, separation techniques and conta
 inments treatment in ground water/soil. In spite of a rapid development of
  experimental techniques\, the missing of microscopic understanding impose
 s a knowledge gap. In this regard\, atomistic modeling and simulation can 
 provide complementary information about the structure\, dynamics\, and ene
 rgetics of charged interfaces. \n\nIn this lecture\, I will first talk abo
 ut basic principles\, available approaches\, and challenges in atomistic m
 odeling and simulation of charged interfaces. Then\, two examples will be 
 discussed. The first one is about revealing the mechanism of fast excess p
 roton migration at water/membrane interface in the context of bioenergetic
 s. The second one is about method developments on the modeling of the diel
 ectric properties (e.g. interfacial capacitance) of charged interfaces\, w
 hich is highly relevant for electro/geochemical applications. 
LOCATION:Wolfson College\, Gatsby Room
END:VEVENT
END:VCALENDAR