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The Research Centre for Modeling and Simulation was established at NUST in 2007 to set up modeling and simulation facilities for design and development in various disciplines through education, training and research. The center was founded to act as a platform to integrate design and development efforts by the government, academia and industry. Progress in this direction could only be made through cross-disciplinary research and educational programs in collaboration with industry and government.  Specifically, there was a need for integrating analytical and computational techniques with advances in computer hardware and software.

RCMS started its first MS program in Computational Science and Engineering in Fall 2008, with specializations in "Fluid Flow and Structures" and "Computational Infrastructures and Visualization". In Fall, 2010, the program was extended to PhD in Computational Science and Engineering.  During the first four years, the educational and research programs at RCMS grew on the foundation of ten interrelated thrust areas, each focusing on mathematical modeling and simulation of a particular domain: structures; fluids; electrical systems; communication systems; computer and network architecture; operations research; and human behavior.  In 2011, computational biology and drug design were added as new concentration areas both in MS and PhD.

Facilitated by the enabling environment comprising state of the art constituent laboratories, library and adaptive mechanisms, faculty and students at RCMS developed a multi-disciplinary approach to research and education, making many notable contributions. The result oriented research by our faculty and students also made significant contributions in the socio economic growth of the country. The foremost project includes design analysis of the trucks plying on our roads with an aim to reduce the fuel consumption by reducing drag. Through research and analysis, it has been concluded that if the upper structure is completely removed, fuel economy is improved by 35% and by implementing aerodynamically efficient add-on structure, the modified truck is 17% more fuel efficient than the original truck.  Similarly, RCMS owns a quantum leap contribution in the early detection of Malaria through computational techniques. Malaria is a fatal disease which claims a huge number of lives worldwide, contributing to over a million deaths annually, mostly children. In some cases, a severe condition occurs due to hyper-inflammation that may turn fatal. The blood flow through small blood vessels to the brain is severely blocked leading to coma, a condition known as Cerebral Malaria. In this project, a model of the complex cellular system was constructed.  The simulation of the model predicted for the first time that continuous activation of BTK protein along with pre-existing high cytokine levels causes Cerebral Malaria.

In 2012, a Center of Excellence titled ‘Super Computing Research and Education Center (SCREC)’ was established at RCMS.  SCREC houses a super computing facility and is presently being utilized in computation-intensive research projects in the areas of fluid dynamics and biosciences.  The facility has the potential to be used for all huge data processing applications such as flood and weather forecasting, financial analysis, oil and gas exploration, energy efficient building designs and transportation management. The SCREC facility is equipped with the Cluster of 132 Teraflops (Single Precision) theoratical peak performance and with Infiniband Interconnect. The Super Computer consists of 66 nodes with more than thirty thousand core. Each of the 32 Dual Quad core machine is connected with N-Vidia Tesla s1070 GPU. The Inter connect is QDR infiniband and 26 TB SAN storage is attached with the system. The aggregated memory is 1.3 TB.

Recently, the education, training and research activities have been divided into two main streams or departments, namely: Computational Science; and Computational Engineering.  These departments have been further divided into divisions to keep the activities focused, better managed as well as synergized.  Computational Science comprises Computer Science, Bio-informatics, and Computational & Applied Mathematics. Similarly, Computational Engineering division is divided into Engineering Sciences, Systems Engineering and Operations Research.