Abstract
new project instituted by Molecular Simulations Inc., Sunnyvale, Calif., will enable industrial scientists to influence the direction of academic research on the theoretical simulation of molecular systems. In the Advanced Research & Technology (ART) project, corporate scientists will interact with a team of computer and polymer scientists at Molecular Simulations headed by Barry D. Olafson, and a group of theoreticians at California Institute of Technology led by chemistry professor William A. Goddard III, cofounder of Molecular Simulations. The objective is to apply quickly the latest research advances in simulation theory to industrial problems in polymer and materials science. Project research will focus on the structure and properties of polymers and composites. Specific applications could involve amorphous polymer structure, glass temperatures, phase diagrams, wettability, surface energies, adhesion at interfaces, and nonlinear optical properties. A way to reliably predict how glass temperature a...
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