Subject: New release of DMol3 v3.8

From: Noppawan Tanpipat <[email-masked]>
Date: Fri, 02 Oct 1998 16:05:02 -0700

I am writing to inform you of the new release of DMol3 3.8. 
DMol3 is a density functional theory (DFT) package from Molecular Simulations
Inc (MSI).  Within one package DMol3 offers a broad range of capabilities for
molecules, solutions, surfaces, and solids (with periodic boundary
conditions).  DMol3 is seamlessly integrated into the Cerius2 User
Interface where one can take advantage of a full range of capabilities,
including building, visualization and analysis.  
  The new features in DMol3 3.8 include COSMO solvation model and COSMO-RS
for prediction of thermodynamic properties of liquids, DFT Molecular Dynamics
and Simulated Annealing, and effective core potentials. 
  Performance improvements include a 4x improvement in geometry optimization
time, and  up to a 40x improvement in the speed of Harris functional
calculations.
  The new release of DMol3 is now available for several hardware platforms 
including Silicon Graphics (IRIX), IBM RS/6000 (AIX).
  For more detailed information on all the features of DMol3 3.8 and
additional information about MSI, visit our web site at
http://www.msi.com.

Noppawan Tanpipat, Ph.D., Product Specialist, Quantum Chemistry,
Molecular Simulations Inc., 9685 Scranton Road San Diego, CA 92121
Tel: (619) 799-5332, Fax: (619) 458-0136, E-mail: [email-masked]