Sentences with phrase «traditional calculation methods»

Not exact matches

Traditional atomistic calculation methods involve a heavy computational workload, which sometimes prevents their application to systems large enough to model the experimental structural complexity of real samples.

With Mira, the Blue Gene Q at ALCF, the researchers were able to obtain a highly accurate binding energy calculation (at chemical accuracy of ~ 1 kcal / mol) of ellipticine to DNA (33.6 ± 0.9 kcal / mol), while other traditional methods had predicted no binding (DFT: -5 kcal / mol).

Unlike the traditional Initial / Regulation T (Reg T) margin calculation method, portfolio margin measures the risk in your overall portfolio and uses that to determine your margin requirement.

Innovative «regular» option ARMs: traditional «regular» option ARMs with some new features added: the new minimum payment calculation method, the Interest Only payment required at recast, etc..