Predicting Crystal Structures with Data Mining of Quantum Calculations

Predicting and characterizing the crystal structure of materials is a key problem in materials research and development. It is typically addressed with highly accurate quantum mechanical computations on a small set of candidate structures, or with empirical rules that have been extracted from a large amount of experimental information, but have limited predictive power. In this letter, we transfer the concept of heuristic rule extraction to a large library of ab-initio calculated information, and demonstrate that this can be developed into a tool for crystal structure prediction.Comment: 4 pages, 3 pic

Comments from ARPA/AFML

I want to take a moment to give you a few reflections from the sponsoring agency. The Advanced Research Projects Agency has been set up to take chances on high risk R and 0. I have a warm spot in my heart for this particular program because it\u27s the first one that I was fortunate enough to pull together on an integrated basis. However, I have to admit that when it was first suggested by Mike Buckley that I should put a few chips in NOE, I felt kind of blah about it. I felt it was not a risky area, that it was not the colorful type of thing that ARPA should be getting into. The more I ~rd about it, however, the more I realized the importance of this area and that a good investment in some people that Don had pulled together would pay off handsomely. I want to compliment Don and the excellent team he has gotten together. I am particularly excited tonight to have the atteniton of people like Secretary Brownman who, I can appreciate, understands technology and understands that it needs diffusing out into the services. The program is still risky unless we can pull that off. Let\u27s hope that getting the attention of people like Secretary Brownman and others will aid in a technology transfer so that new developments will not be lost for another decade or two, or until someone rediscovers it

Arthur Van Reuth Collection

Arthur Van Reuth (1912-2009) graduated from the University of Maryland in 1934 with a B.S. in Engineering. At Maryland, Van Reuth was a member of the Engineering Society, Civil Club, Episcopal Club, Rossbourg Club, and the Sigma Phi Sigma fraternity. This collection consists of two black and white photos -- one of the November 25, 1934 Homecoming football game crowd with cheerleaders Charlotte Hood, Helen Wollman, and June Barnesley, and one of Sigma Phi Sigma fraternity brothers in 1934. Also included is a black and gold Maryland pennant featuring the university seal and four streamers

Comments from ARPA/AFML

I want to take a moment to give you a few reflections from the sponsoring agency. The Advanced Research Projects Agency has been set up to take chances on high risk R and 0. I have a warm spot in my heart for this particular program because it's the first one that I was fortunate enough to pull together on an integrated basis. However, I have to admit that when it was first suggested by Mike Buckley that I should put a few chips in NOE, I felt kind of blah about it. I felt it was not a risky area, that it was not the colorful type of thing that ARPA should be getting into. The more I ~rd about it, however, the more I realized the importance of this area and that a good investment in some people that Don had pulled together would pay off handsomely. I want to compliment Don and the excellent team he has gotten together. I am particularly excited tonight to have the atteniton of people like Secretary Brownman who, I can appreciate, understands technology and understands that it needs diffusing out into the services. The program is still risky unless we can pull that off. Let's hope that getting the attention of people like Secretary Brownman and others will aid in a technology transfer so that new developments will not be lost for another decade or two, or until someone rediscovers it.</p

The Electronic Specific Heat of Certain Vanadium Alloys

171 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 1964.U of I OnlyRestricted to the U of I community idenfinitely during batch ingest of legacy ETD