Elena V. Akhmatskaya

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In this and a preceding paper, we provide an introduction to the Fujitsu VPP range of vector±parallel supercomputers and to some of the computational chemistry software available for the VPP. Here, we consider the implementation and performance of seven popular chemistry application packages. The codes discussed range from classical molecular dynamics to(More)
The structural properties of the silicate garnets andradite, Ca(3)Fe(2)Si(3)O(12), uvarovite, Ca(3)Cr(2)Si(3)O(12), knorringite, Mg(3)Cr(2)Si(3)O(12), goldmanite, Ca(3)V(2)Si(3)O(12), blythite, Mn(2+)(3)Mn(3+)(2)Si(3)O(12), skiagite, Fe(2+)(3)Fe(3+)(2)Si(3)O(12), calderite, Mn(2+)(3)Fe(3+)(2)Si(3)O(12), and khoharite, Mg(3)Fe(3+)(2)Si(3)O(12), have been(More)
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