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SUMMARY:ADF: Amsterdam Density Functional\, Developments and Applications 
 - Stan van Gisbergen\, SCM
DTSTART:20110214T160000Z
DTEND:20110214T170000Z
UID:TALK29817@talks.cam.ac.uk
CONTACT:22228
DESCRIPTION:Dr. Stan van Gisbergen (accompanied by his colleague Dr. Matt 
 Kundrat) will present an overview on recent advances in\, and applications
  with\, the Amsterdam Density Functional software suite\, release ADF2010.
  \nThe primary focus will be on DFT software for molecules (ADF) and perio
 dic systems (BAND) using Slater basis sets. \nMore recent developments wil
 l also be briefly addressed\, including ReaxFF for reactive molecular dyna
 mics\, COSMO-RS for thermodynamics of mixed liquids\, and the recently sta
 rted project on Approximate DFT methods for nanoscale systems. Strengths o
 f ADF and BAND include the treatment of heavy elements with inclusion spin
 -orbit relativistic effects\, a broad range of spectroscopic properties\, 
 and many chemical analysis possibilities. The ADF brochure shows a preview
 : http://www.scm.com/Brochure/
LOCATION:Unilever  Lecture Theatre\,  Department of Chemistry
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