Dresden 2014 – scientific programme

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17:45	O 85.1	Representing Complex Potential Energy Surfaces by Artificial Neural Networks — •Christopher Handley and Jörg Behler

18:00	O 85.2	Accelerating ab initio molecular dynamics simulations of water by artificial neural networks — •Tobias Morawietz, Andreas Singraber, Christoph Dellago, and Jörg Behler

18:15	O 85.3	The dissociation constant of water at extreme conditions — •Otto E Gonzalez Vazquez, Sandro Scandolo, and Luigi Giacomazzi

18:30	O 85.4	Simulating the non-equilibrium growth of complex molecules: the influence of anisotropy — •Nicola Kleppmann and Sabine H. L. Klapp

18:45	O 85.5	Free energy surface reconstruction from umbrella samples using Gaussian process regression — •Thomas Stecher, Noam Bernstein, and Gábor Csányi