The future of ab initio



Dear netters,
 We, in the Ohio Supercomputer Center, are trying to predict the trends
 and needs in computational chemistry of the (near) future.
 And as usual, there are more questions than answers.
 I have a big favo(u)r to ask. Please, answer me the following question:
 What would you do if you could ROUTINELY perform ab initio calculations
 (let say at the level of HF or HF/MP2) with 500 contracted basis functions?
 What kind of projects and applications would you run? Can you think about
 any commercial R & D applications where ab initio methods are important
 at this level.
 Thank you very much in advance. Mail it to me (jkl : at : ccl.net), and I will
 summarize the responses.
 Jan Labanowski
 Ohio Supercomputer Center
 1224 Kinnear Rd
 Columbus, OH 43212-1163, USA
 jkl : at : ccl.net
 JKL : at : OHSTPY.BITNET