Sentence examples for minimization with the from inspiring English sources
Table 1: Quantitative characterization of the 20 CYANA conformers used to represent the solution structure of rSP-C33Leu after energy minimization with the program OPAL.
The structures of CsPbBr3 with different contents of TFA doping were optimized through total energy minimization with the residual forces on the atoms converged to below 0.01 eV Å−1.
The COnstrained L1-norm minimization with the Synthetic Background generation method (COL1SB) is newly developed open-path FTIR analysis software, designed to efficiently handle chemical interferences and to systematically generate background spectra.
Minimization with the gradient descent method produces a set of diffusion-reaction partial differential equations that describe a tensor-preserving flow towards a best approximation of the data while maintaining the constraints.
Phase relations were computed by free energy minimization with the Perple_X software package (Connolly JAD [2009]).
In the MMV case the ℓ1-SVD method [7 9] replaces the ℓ1 norm minimization with the mixed norm ℓ2,1 norm minimization.
After addition of hydrogen atoms, the model was refined by energy minimization (EM) with the minimization protocols in the Discovery Studio 2.1 software package (Accelrys, San Diego, CA) using a CHARMm force field.
We showed that, by sensing the network at their points of connection, agents can perform this minimization with just the data that they can gather from the other agents belonging to the subset.
The principle of these criteria is the minimization, with respect to the design, of the expected volume of a particular exact parametric confidence region.
In summary, we find a stable periodic strain-relief template by using energy minimizations with the MD calculations and the self-consistent first-principles calculations.
Energy minimizations with the DFT method described above could decrease the potential energy on the order of 1000 kJ suggesting that the H-bond network from CVFF was limiting the accuracy of the model structure.
