First published 2006

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Cover design: Terry Callanan

Printed and bound in Great Britain by Lightning Source UK Ltd

About the Author

John S. Riley began programming in the early 1980's and completed his first chemistry related software project in 1988: a custom microcomputer printer driver to print molecular orbitals on a dot matrix printer.

While earning his Ph.D. at the University of North Carolina - Chapel Hill, he began to explore quantum chemistry and Monte Carlo calculations to model experimental ion dissociation dynamics data in addition to writing low level code to collect that data. It was at this time that he began to think about the practical limitations to useful modeling on microcomputers.

In his chemistry career, Riley has conducted ion dynamics and photochemistry research, built and managed a forensic laboratory, taught college level Chemistry and Physics and is currently the owner and manager of DSB Scientific Consulting. In this capacity, he is involved in researching theoretical decomposition mechanisms of energetic materials...