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From: lampman@heurikon.UUCP (Ray Lampman)
Newsgroups: sci.physics,sci.misc,sci.research
Subject: atomic simulation software ...
Message-ID: <203@heurikon.UUCP>
Date: 26 Apr 88 14:19:11 GMT
Reply-To: lampman@heurikon.UUCP (Ray Lampman)
Followup-To: sci.physics
Organization: Heurikon Corp., Madison WI
Lines: 27

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I'm looking for a software package which will be able to help project the
physical properties for elemental and multi-atomic structures.
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Most importantly the package must accurately predict weather an atomic
arrangement is stable or unstable. It should be able to propose
theoretical phase diagrams for elemental and multi-atomic structures.

The package should also be able to determine the basic physical properties
of elemental and multi-atomic structures, properties like density, hardness,
conductivity, malleability, and color. It should accurately predict the
reflective properties of metals. And it would be nice if it could predict
the transparent properties of glass, plastics, and crystals.
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Now, is this fantasy, or what?
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I have read my own request and am torn between laughter and seriousness.
I believe the quantum theory is capable of modeling chemical bonds.
But do we have a theory which models the interactions between radiation
and matter? If we have sufficient theory, do we have the computing power
to complete a valid simulation? Are we missing any parts of this puzzle?
I would appreciate any discussion or pointers you can provide. Thank you,
-- 
                                        - Ray Lampman (lampman@heurikon.UUCP)