Tutorials
Spring AIChE - 2 day, in depth
Topics to be determined by the sub-committee
Publications
AIChE Topical (Anne Chaka) – Summarizes the workshop
JACS
article (Siepmann) – Where are we and where do we want to be?
Book
(Siepmann) – Industrial Computation
Website (Johnson)
Consortium
Sub-committee – Thompson (chair), Dobbs, Frurip - will meet at
CCR Cincinnati (September)
Open Competition
9
properties for a wide range of organic compounds to be judged on the
basis of accuracy (compared to experimental values).
Sub-committee – Golab (chair), Mountain, Greenfield, Case,
Hector, Storer, Schiller
Recommendations
Statistical mechanical ensembles, error analysis, independent initial
conditions, benchmarks, tools for forcefields.