To reduce the number of winter days with minimal growth, a shortened winter season was simulated by running the simulation only every second day in November and March and only every third day in December, January, and February, compressing the treatment down from 5 months to 2 months.
By using the reduced models in the simulation only when they are valid the Adaptive Chemistry solution matches the solution obtained using the detailed mechanism.
Aiming to analyze the importance of the antibodies to the elimination of bacteria, the response is represented firstly by the simulation of only the innate cells (Case 2) and then with the complete model including activation of the lymphocytes, production, and migration of antibodies to the tissue (Case 3).
The protein lost much of its α-helical structure within the first 10 ns of simulation; by the end of the 50 ns simulation, only residues V8−L13 and L25−H30 were in an α-helical conformation (see Figures 1 and 2 of the Supporting Information).
Outputs from two electronic structure calculations are therefore needed by the simulation code, although only the mean of the shielding tensor principal values (overline{sigma }_{mathrm {ref}}) is utilized from the calculation for the reference compound.
At the same COD level, these numbers were lower than the voltage estimated by the simulation program, which could only go down to about 1,000 mV.
The performance characteristics of most of these algorithms have been analysed by means of software simulation only.
As is discussed here for the case of studying classical spin models of statistical mechanics by Monte Carlo simulations, only an explicit tailoring of the involved algorithms to the specific architecture under consideration allows to harvest the computational power of GPU systems.
These new models are only instantiated by the simulation environment interpreting the SED-ML file.
The only data required by the simulation models are the separation characteristics, tailings grade constraints and the feed rates.
