(first part) I knew that (slaps self on forehead). That leads me to my second question. The CHARMM Overview seems to imply it only runs under UNIX. How did they get it to run under CEP in Windows?

And I was wondering about Q-Chem. The Q-Chem Website indicates this is a commercial application. I guess they bought (will buy) the unlimited license and wonder which category they were able to purchase it under (or was it a donation). I realize you or they may not be able to publicly answer the second half of my question.

Littlepeaks,

For your first question, we are focusing on organic materials for many reasons. Among them is that studying these molecules is a relatively new field with a lot of questions still unanswered -WCG users are helping advance science!

Secondly, organic materials have promise for solar cells because they require less upfront money and energy costs for manufacturing. With this project, we're looking for molecules that have properties that will make them suitable for efficient solar cells. Chemists in lab don't have time to study as many molecules that we, with your help, can look at.

Didactylos is right with respect to your second question: we made agreements with the CHARMM and Q-Chem developers to grid-enable their software. We are using only very specific parts of the software suite to make the executables a reasonable size for everyone's computer.

The CEP team.