Sentence examples for large scale calculations from inspiring English sources
The resulting scheme brings large scale calculations in extremely complex domains within practical reach.
Numerical experiments show that these new methods are more reliable and efficient for large scale calculations on modern supercomputers.
The new method requires anO(M) computations only and is, therefore, more advantageous in large scale calculations.
Solving the electronic structure from a generalized or standard eigenproblem is often the bottleneck in large scale calculations based on Kohn Sham density-functional theory.
Mean field and beyond mean field methods implemented with the D1S force are used in large scale calculations to study the structure properties of fifty five even even actinides at normal and isomeric potential deformations.
Coincidentally, 50 years ago, computers appeared for the first time, and as they became more generally available and useful, chemical engineers were amongst the first to recognise and exploit their potential for large scale calculations.
The less computationally intensive Dreiding forcefield was shown to give a good qualitative description of the diffusion validating its applicability for future large scale calculation, i.e., for long times or enlarged systems.
Lazarus helped pioneer the development of computers for large-scale calculations and led the computer division at Los Alamos National Laboratory.
Parallel computing techniques for large-scale calculations are described: neighboring buckets, renumbering, and domain decomposition.
It is meant for large-scale calculations in a basis of orthogonal orbitals for groups of LS terms of arbitrary parity.
Based on the real-space finite-difference method, we have developed a first-principles density functional program that efficiently performs large-scale calculations on massively-parallel computers.
