Volume 86 Issue 38 | p. 88
Issue Date: September 22, 2008

Speeding Up Computations

Code harnesses graphics processors for faster chemical calculations
Department: Science & Technology, ACS News

IT'S NO SURPRISE that computational chemists' idea of their field's next big thing usually involves speed. The swiftness with which a computer can calculate molecular structure or dynamics has always been the bottleneck for advances in quantum chemistry.

Ivan Ufimtsev's promise of big jumps in computational speed made him the winner at this year's "Emerging Technologies" symposium, sponsored by the ACS Division of Computers in Chemistry and software company Schrödinger. Ufimtsev, a graduate student . . .

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