Hi all,
There will be a CEP subgroup meeting tomorrow 3-4 in the div room. For a
change, I will be speaking, abstract below.
All welcome
Ed
*****
*Molecules, Crystals and Materials : Why we care about molecular structure.
*
*After combinatorially generating molecular structures on a 2D level, the
next stage is to move into three dimensions, and create molecular
conformations. This, however, is not a trivial task - it involves
exploring the conformational landscape *
*to discover relevant low lying minima. I will discuss our initial forays
into this area, and present some current results to illustrate progress. *
*I will also show how the ruggedness of the conformational energy landscape
influences our ability to perform predictions of potential crystal
structures, and present some ongoing work on the predictions of some
materials of interest as OPVs.*
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