Hi all,
Don't forget about David Wales talk today at 2pm also! It will be good!
Jarrod
From: "Schwickrath, Helen"
<schwickrath@chemistry.harvard.edu<mailto:schwickrath@chemistry.harvard.edu>>
Date: March 24, 2015 at 2:47:38 PM EDT
To: "Schwickrath, Helen"
<schwickrath@chemistry.harvard.edu<mailto:schwickrath@chemistry.harvard.edu>>
Subject: [G5] FW: David Wales talk tomorrow
Wednesday, 25 March
2:00 p.m.
Pfizer Lecture Hall
ITAMP Series
Prof David Wales from the University of Cambridge will be giving a talk at 2pm tomorrow in
Pfizer, as part of the ITAMP series. It will probably be of interest to members of the
department, so if you could post this to the list, it would be appreciated.
I include an abstract:
David Wales:
Energy Landscapes and Prediction of Molecular Properties
------------------------------------------------------------------------------
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 conformational changes of biomolecules and 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
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