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Computational Engineering Commons

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Full-Text Articles in Computational Engineering

Comparing An Atomic Model Or Structure To A Corresponding Cryo-Electron Microscopy Image At The Central Axis Of A Helix, Stephanie Zeil, Julio Kovacs, Willy Wriggers, Jing He Jan 2017

Comparing An Atomic Model Or Structure To A Corresponding Cryo-Electron Microscopy Image At The Central Axis Of A Helix, Stephanie Zeil, Julio Kovacs, Willy Wriggers, Jing He

Computer Science Faculty Publications

Three-dimensional density maps of biological specimens from cryo-electron microscopy (cryo-EM) can be interpreted in the form of atomic models that are modeled into the density, or they can be compared to known atomic structures. When the central axis of a helix is detectable in a cryo-EM density map, it is possible to quantify the agreement between this central axis and a central axis calculated from the atomic model or structure. We propose a novel arc-length association method to compare the two axes reliably. This method was applied to 79 helices in simulated density maps and six case studies using cryo-EM ...


Changing Cpu Frequency In Comd Proxy Application Offloaded To Intel Xeon Phi Co-Processors, Gary Lawson, Masha Sosonkina, Yuzhong Shen Jan 2015

Changing Cpu Frequency In Comd Proxy Application Offloaded To Intel Xeon Phi Co-Processors, Gary Lawson, Masha Sosonkina, Yuzhong Shen

Computational Modeling and Simulation Engineering Faculty Publications

Obtaining exascale performance is a challenge. Although the technology of today features hardware with very high levels of concurrency, exascale performance is primarily limited by energy consumption. This limitation has lead to the use of GPUs and specialized hardware such as many integrated core (MIC) co-processors and FPGAs for computation acceleration. The Intel Xeon Phi co-processor, built upon the MIC architecture, features many low frequency, energy efficient cores. Applications, even those which do not saturate the large vector processing unit in each core, may benefit from the energy-efficient hardware and software of the Xeon Phi. This work explores the energy ...


Engineering Collaborations In Medical Modeling And Simulation, Frederic D. Mckenzie, Salim Chemlal, Tom Hubbard, Robert E. Kelly, Roderick C. Borgie, David A. Besachio, Michel Audette Jan 2014

Engineering Collaborations In Medical Modeling And Simulation, Frederic D. Mckenzie, Salim Chemlal, Tom Hubbard, Robert E. Kelly, Roderick C. Borgie, David A. Besachio, Michel Audette

Computational Modeling and Simulation Engineering Faculty Publications

Fifty years ago computer science was just beginning to see common acceptance as a growing discipline and very few universities had a computer science department although other departments were utilizing computers and software to enhance their methodologies. We believe modeling and simulation (M&S) is on a similar path. Many other disciplines utilize M&S to enhance their methodologies but we also believe that M&S fundamentals can be essential in making better decisions by utilizing the appropriate model for the problem at hand, expanding the solution space through simulation, and understanding it through visualization and proper analyses. After our ...


Compute As Fast As The Engineers Can Think! Utrafast Computing Team Final Report, Robert T. Biedron, P. Mehrotra, Michael L. Nelson, M. L. Preston, J. J. Rehder, J. L. Rogersm, D. H. Rudy, J. Sobieski, O. O. Storaasli Jan 1999

Compute As Fast As The Engineers Can Think! Utrafast Computing Team Final Report, Robert T. Biedron, P. Mehrotra, Michael L. Nelson, M. L. Preston, J. J. Rehder, J. L. Rogersm, D. H. Rudy, J. Sobieski, O. O. Storaasli

Computer Science Faculty Publications

This report documents findings and recommendations by the Ultrafast Computing Team (UCT). In the period 10-12/98, UCT reviewed design case scenarios for a supersonic transport and a reusable launch vehicle to derive computing requirements necessary for support of a design process with efficiency so radically improved that human thought rather than the computer paces the process. Assessment of the present computing capability against the above requirements indicated a need for further improvement in computing speed by several orders of magnitude to reduce time to solution from tens of hours to seconds in major applications. Evaluation of the trends in ...