CMSP Seminar Series @ICTP Stasi Rm: A. MICHAELIDES Thursday 25 May at 11:30

[Condensed Matter Section]

ICTP Seminar Series in Condensed Matter and Statistical Physics
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Thursday 25 May at 11:30 a.m.

Luigi Stasi Seminar Room, first floor, ICTP Leonardo building
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Speaker:
Angelos MICHAELIDES (Thomas Young Centre, UC London, U.K.)

Title:
What We Do and Don't Know about Water at Interfaces - Molecular
Level Insight from Computer Simulation

Abstract:
There are few molecules, if any, more important than water. Yet 
remarkably little is known
about how it interacts with solid surfaces, particularly at the all 
important atomic-level. This
is true despite widespread general interest and compelling environmental 
and economic
incentives. For example, water-solid interactions play a crucial role in 
the activity of fuel cells,
the chemistry of the atmosphere, global warming, corrosion, catalysis, 
the operation of
membranes, and so on. In this talk I will discuss some of our recent 
work in which we have
been using classical and quantum molecular dynamics approaches as well 
as advanced
electronic structure methods to better understand the structural and 
dynamical properties
of water-solid interfaces. This will include work focused on 
understanding the formation
of ice [1-3], confined water in nanocapiliaries [4], and water diffusion 
and friction [5-7].

1. M. Fitzner, G. C. Sosso, S. J. Cox and A. Michaelides, J. Am. Chem. 
Soc. 137, 13658 (2015)
2. G. Sosso et al., J. Phys. Chem. Lett. 7, 2350 (2015)
3. A. Kiselev et al, Science (2016); DOI: 10.1126/science.aai8034
4. J. Chen, G. Schusteritsch, C. J. Pickard, C. G. Salzmann and A. 
Michaelides, Phys. Rev. Lett. 116, 025501 (2016)
5. G. Tocci, L. Joly and A. Michaelides, Nano Lett. 14, 6872 (2014)
6. M. Ma, G. Tocci, A. Michaelides and G. Aeppli, Nature Materials 15, 
66 (2016)
7. L. Joly, G. Tocci, S. Merabia, and A. Michaelides, J. Phys. Chem. 
Lett. 7, 1381 (2016)