water at molecular scale

wflowA great meeting just takes place at the National Graphene Institute in Manchester. We discuss the interaction of water in various phases, interfaces, and nano-confinement. Aside from impressive experimental analysis, Andrea Zen and I contributed to the theoretical understanding of water at graphitic surfaces with the talk on “Benchmarking the interaction strength between water and graphene” [pdf].
We could build upon our work on computing chemically accurate molecular crystal lattice energies and revise the binding energies of water in different configurations on a graphene surface. This will add to the physical understanding of the involved interactions as well as provide benchmark quality references for calibrating approximate methodologies.

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