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View Full Version : Hydrogen@Home Project News December 31, 2007 - Happy New Years



Bok
12-31-2007, 10:39 AM
Happy New Years Hello Hydrogen@Home Volunteers, I write to you on New Years Eve Day. I would like to thank you again for your help over the course of the year and I look forward to working on the challenges in developing this project in 2008. Among the things I am looking at are: better management of disk space, improving my backups ;-( solving an issue with my assimilator dying and implementing a Density Functional Theory simulation. My initial idea about QMC seems wrong. Researchers have pointed me towards DFT+U which are often employed in modeling nodal surfaces. These are metalic systems where wavefunctions go to zero. To tell you the truth, I don't entirely understand what that means, but in the next few months I hope to read and experiment. At the end I hope to have a reasonable method to identify catalysts from the structures of the substrate and product. Kind Regards, Jack

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