Speaker
Prof.
David van der Spoel
(Uppsala University)
Description
There is a plethora of different computational chemistry
methods available for studying molecules. Within the field
of quantum chemistry these are sometimes called "levels of
theory", suggesting that these levels correspond to quality.
For empirical models no such classification exists, even
though researchers in the field usually have an opinion
about the relative merits of different methods that may or
may not be based on facts, rumors or prejudice.
In this lecture I will try to provoke some discussion by
showing some as of yet unpublished results combined with
results from the literature.
