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The former is best achieved using classical (force field) molecular-dynamics simulations, from which individual geometries ("snapshots") can be used for subsequent quantum mechanical calculations.
The performance evaluation of the proposed algorithm is carried out by means of Electromagnetic Transients Program (EMTP) simulations, from which a wide variety of faults in a 1000 kV AC transmission line 2613 km long is analyzed.
The practicability and accuracy of the estimation method were examined with numerical simulations from which the input forces of a cantilever beam with a lumped mass on the free end were estimated from the output responses.
The impact of the density of nodes and fading factor on the mean probability of successful reception and transmission capacity are also studied in our numerical analysis and simulations, from which we can see that the fading parameter has no effect on the probability of successful reception, which is same as that in the PPP deployed network.
These methods begin with molecular dynamics (MD) simulations from which representative "non-redundant" structures are identified using statistical methods.
First, the 14-residue peptide fragment (demarcated by the red horizontal lines) starts unfolding, right in the middle in two of three simulations, from which it never recovers.
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The upcoming example represents a typical possible simulation from which the primary and secondary networks could justify their coexistence decision.
The analytical results obtained are compared to those obtained by Monte Carlo simulation, from which it is concluded that substantial improvements are obtained by applying the modified closure scheme.
In this work, we have achieved a more comprehensive computer-aided (CA) simulation from which the results have integrated all the possible influences between different sub reactions, and, therefore, might give a more indicative result for real industrial applications.
The functionality of linear transforms was verified on 10,000 randomly generated input signals in simulation, from which we obtained the switching activity information that was used by the synthesis tool to compute the power dissipation.
Subsequently, the molecular structures of the CNTs/polyimide nanocomposites were established through molecular dynamics (MD) simulation, from which the non-bonded gap as well as the non-bonded energy between the CNTs and the surrounding polyimide were evaluated.
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