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SUMMARY:Random searching: shining a light on structure space - Dr Chris Pi
 ckard\, University of St Andrews
DTSTART:20081009T131500Z
DTEND:20081009T141500Z
UID:TALK13185@talks.cam.ac.uk
CONTACT:Dr Jonathan Keeling
DESCRIPTION:Ammonia is an important molecule: for industry\, life and plan
 etary science. Like water\, its solid form is described as an ice. However
 \, in contrast to water relatively little is known about its high\npressur
 e behaviour. Using a random searching strategy[1] for a first principles e
 xploration of the structural space\, ammonia is predicted to form ammonium
  amide under pressures from about 1 Mbar[2]. I will describe and illustrat
 e this simplest of searching strategies by first\ninvestigating the high p
 ressure phases of ammonia's constituents: hydrogen[3] and nitrogen.\n\nfn1
 . Pickard & Needs\, "Physical Review Letters\, 97\, 45504":http://dx.doi.o
 rg/10.1103/PhysRevLett.97.045504 (2006)\n\nfn2. Pickard & Needs\, "Nature 
 Materials\, 7\, 775 - 779":http://dx.doi.org/10.1038/nmat2261 (2008)\n\nfn
 3. Pickard & Needs\, "Nature Physics\, 3\, 473-476":http://dx.doi.org/10.1
 038/nphys625 (2007)\n
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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