Parameter optimization for chemical systems requires generation of initial guesses. These parameters should be generated using systematic sampling of parameter space, minimizing differences between output data and the corresponding reference data. In this paper we discuss the ParamChem project, which is creating reusable and extensible infrastructure for the computational chemistry community that will reduce unnecessary and eliminate redundancies in parametrized computations using modern software engineering tools.The paper particularly focuses on constructing and executing coupled molecular chemistry models as complicated workflow graphs. These workflow management capabilities have been integrated with the GridChem Science Gateway infrastructure through the TeraGrid advanced user support program. Further, we describe how the project is enabling a sustainable growth for science gateway infrastructure by building upon tools provided by the Open Gateway Computing Environments. The paper also discusses plans for integrating TeraGrid information, monitoring and prediction services to provide automated job scheduling with resource maintenance and fault aware services.
The concept of wearable products such as textile
antenna are being developed which are capable of monitoring,
alerting and demanding attention whenever hospital
emergency is needed, hence minimizing labour and
resource. In the proposed work by using textile material
as a substrate the ultra wideband antenna is designed
especially for medical applications.Simulated and measured
results here shows that the proposed antenna design
meets the requirements of wide working bandwidth
and provides 13.08 GHz bandwidth with very small size,
washable (if using conductive thread for conductive parts)
and flexible materials. Results in terms of bandwidth, radiation
pattern, return loss as well as gain and efficiency
are presented to validate the usefulness of the current proposed
design. The work done here has many implications
for future research and it could help patients with such
flexible and comfortable medical monitoring techniques.
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