BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:Computing absolute free energies of disordered structures by molec
 ular simulation - Dr Tanja Schilling (Department of Physics\, University o
 f Mainz)
DTSTART:20091002T100000Z
DTEND:20091002T110000Z
UID:TALK19567@talks.cam.ac.uk
CONTACT:Dr Mark Miller
DESCRIPTION:We present a Monte Carlo simulation technique by which the fre
 e energy of disordered systems can be computed directly. It is based on th
 ermodynamic integration. The central idea is to construct an analytically 
 solvable reference system from a configuration which is representative for
  the state of interest. The method can be applied to lattice models (e.g.\
 , the Ising model) as well as off-lattice molecular models. We focus mainl
 y on the more challenging off-lattice case. We propose a Monte\nCarlo algo
 rithm\, by which the thermodynamic integration path can be sampled efficie
 ntly. At the examples of the hard sphere liquid and a hard disk solid with
  a defect we discuss several properties of the approach.  In the second pa
 rt of the talk we will present results on the phase diagram and slow dynam
 ics of suspensions of hard ellipsoids.\n
LOCATION:Unilever Lecture Theatre\, Department of Chemistry
END:VEVENT
END:VCALENDAR