Did anyone else respond? I thought it might be an interesting discussion.
The article points out the limitations of experimental science but it
discounts the cleverness of future researchers. The example of randomly
finding the perfect reagent among a large number possibilities sounds a bit
like saying there's no clever way to purify or predict what the reagent
should be. With computational chemistry becoming increasingly predictive and
projects like the clean energy screen saver it is probably be possible to
sort through the molecules.
Why spend the the time is another question. There's a lot of ways to use a
million computer hours but what's worth the effort? A comment Garnet Chan
said was in physics there are problems like the superconductivity or dark
energy that all physicist think about in the back of their minds, whereas in
chemistry the problems are very spread out.
JDW
J. D. Whitfield
Aspuru-Guzik group
Department of Chemistry and Chemical Biology
Harvard University
tel: (301) 520-7847
web:
aspuru.chem.harvard.edu/People/James_Whitfield
On Aug 23, 2010, at 10:38 AM, Dmitrij Rappoport <
rappoport(a)chemistry.harvard.edu> wrote:
Hello everyone,
There is a recent paper in Nature Chemistry entitled "Uncertainty in
Chemistry" by Fredric M. Menger, a synthetic organic chemist,
http://dx.doi.org/10.1038/nchem.799
which makes the claim that there are things in chemistry, which are
experimentally unknowable, like the molecular structure and dynamics of all
molecules in a polymer sample. And since simulation can only reproduce known
experiments and is not always trustworthy, so the argument goes, there is a
range of potentially important questions which are unanswerable.
I was thinking that, since we have so many people from different backgrounds
in our group, wouldn't it be interesting to discuss it in one of the
upcoming group meetings and perhaps even write some response to it? I would
imagine that there are several interesting angles to this question such as
connections to complexity theory, questions about modeling vs. prediction,
etc.
Let me know you are interested and perhaps we could have a discussion about
this in one of the upcoming group meetings.
Cheers,
Dmitrij
---------------------------------------------
Dr. Dmitrij Rappoport
Department of Chemistry and Chemical Biology
Harvard University
12 Oxford St.
Cambridge, MA 02138
phone: (617) 496 8221
fax: (617) 496 9411
email: rappoport(a)chemistry.harvard.edu
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