School Seminar: Exploring Energy Landscapes: From Molecules to Nanodevices

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• Prof. David Wales, Department of Chemistry, University of Cambridge
• Tuesday 01 March 2016, 14:00-15:00
• MechE-G31.

If you have a question about this talk, please contact Dr Dwaipayan Chakrabarti.

School Seminar hosted by Prof. Roy L. Johnston - RSC Tilden Prize Lecture

The potential energy landscape provides a conceptual and computational framework for investigating structure, dynamics and thermodynamics in atomic and molecular science. This talk will summarise new approaches for global optimisation, quantum dynamics, the thermodynamic properties of systems exhibiting broken ergodicity, and rare event dynamics. Applications will be presented that range from prediction and analysis of high-resolution spectra, to coarse-grained models of mesoscopic structures.

Selected Publications: D.J. Wales, Curr. Op. Struct. Biol., 20, 3-10 (2010). D.J. Wales, J. Chem. Phys., 130, 204111 (2009). B. Strodel and D.J. Wales, Chem. Phys. Lett., 466, 105-115 (2008). D.J. Wales and T.V. Bogdan, J. Phys. Chem. B, 110, 20765-20776 (2006). D.J. Wales, Int. Rev. Phys. Chem., 25, 237-282 (2006). D.J. Wales, “Energy Landscapes”, Cambridge University Press, Cambridge, 2003.

This talk is part of the School of Chemistry Seminars series.

This talk is included in these lists:

• MechE-G31
• School of Chemistry Seminars

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