Ah, that option ... #4 ... I'd not hoped for but is the best wished and can see it's not mission critical to have "absolute" validation as you've already been allowing.

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cleanenergy, that sounds like corner cutting - you'll be doing stats next ;P

What exactly are you assaying for in these experiments; a molecular transition, structural change, energy change, or can you say?
The Result Logs don't give much away,
[12:56:00] Starting job 1,CPU time has been restored to 215.031250.
[13:05:55] Finished Job #1...

Hi Skgiven,
CEP2 is set up in a calculation hierarchy. Right now we are still at the first and easiest level (‘set1’). Some of the things we probe are, e.g., energy levels and their alignments, absorption spectra, dipole moments, optimum geometries, we analyze the molecular wavefunction and bonding, and extract information related to the electronic conductivity through the molecular backbone. We do this for different theoretical models and approximations. Oh yes, and we do plenty of statistics and empirical calibration. Future calculations will cover, e.g., the response to external fields, trapping in vibrational modes, reorganization energies, transfer integrals,...

Hi Renzo,
Yes, that’s the idea for getting rid of the wingman – thanks for the positive feedback!

Best wishes

Your Harvard Clean Energy Project

Dear skgiven,
absolutely - we have a collaboration with an experimentalist group at Stanford University and they'll investigate our most promising candidates and will try to make prototype devices.
Best wishes
Your Harvard CEP team

Dear skgiven,
yes, you are right - theoretical/computational work only gets really interesting once you expose your findings to the real world of an experimentalist's laboratory. We are very happy to be incorporated with strong partners and we believe that this is one of the neat points of the overall CEP project.
Thanks for your interest.
Best wishes
Your Harvard CEP team