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Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

The science in this article resulted in a patent (UK patent number: 0810413.5), and forms the cornerstone of a GBP1.6M "Critical Mass" EPSRC grant (EP/J010847/1), recently approved. Several new collaborations (including pending grant proposals) resulted with: Prof Mike Finnis (Imperial, ID_in_audit_file@imperial.ac.uk), Prof Stefan Goedecker (Basel, ID_in_audit_file@unibas.ch), Prof Mike Gillan (UCL, ID_in_audit_file@ucl.ac.uk) and Prof Fred Manby (Bristol, ID_in_audit_file@bristol.ac.uk). Dr Bartok gained a 3-year Junior Research Fellowship in Magdalene College (Cambridge) and, more recently, a 3-year Leverhulme Early Career Fellowship, based on this work. This paper was highlighted with a Synopsis on the American Physical Society website:

http://physics.aps.org/synopsis-for/10.1103/PhysRevLett.104.136403.