The basic mission of the MCS Division is increase scientific productivity in the 21st century by providing intellectual and technical leadership in the computing sciences -- computer science, applied computational mathematics, and computational science. Projects in the division range from algorithm development and software design in core areas such as optimization, to exploration of new technologies such as distributed (Grid) computing and bioinformatics, to numerical simulations in challenging areas such as climate modeling. http://www.mcs.anl.gov Argonne National Laboratory By combining quantum chemistry with artificial intelligence (Machine Learning), researchers at the Institute for Pure and Applied Mathematics at the University of California, Los Angeles, achieved a scientific breakthrough expected to aid in explorin http://www.mcs.anl.gov/news/detail.php?id=706 A suite of artificial intelligence algorithms may become the ultimate chemistry set. Software developed at Argonne can now quickly predict a property of molecules from their theoretical structure. Similar advances should allow chemists to design new http://www.mcs.anl.gov/news/detail.php?id=704 Temperature extrema in confined turbulent flows around wire-wrapped nuclear fuel pins—the heat exchanger, typical of many nuclear reactor designs—are not well understood. The main reason is that local extrema can be inves http://www.mcs.anl.gov/news/detail.php?id=694 Argonne National Laboratory’s Marc Snir has been named one of HPCwire’s “People to Watch” in 2012. These individuals are selected from leaders in academia, government, industry, and vendor communities, who HPCWire believes wil http://www.mcs.anl.gov/news/detail.php?id=692 Pavan Balaji, an assistant computer scientist in Argonne’s Mathematics and Computer Science Division, has been elected chair for the IEEE Technical Committee on Scalable Computing (TCSC) for 2012-2013. The TCSC addresses theoretical and ex http://www.mcs.anl.gov/news/detail.php?id=680 Formal methods can play an important role in debugging and verifying MPI applications. Here, we describe existing techniques, including their pros and cons, and why they have value beyond MPI, addressing the general needs of future concurrency applic http://www.mcs.anl.gov/news/detail.php?id=676 Andrew Chien is one of a handful of new members of the University’s Computer Science faculty who are changing the face of the department as it expands beyond its theoretical foundations. He specializes in systems applications, software, network http://www.mcs.anl.gov/news/detail.php?id=678 Argonne computer scientists have devised a software-based approach, called GLEAN, to improve I/O performance on its IBM Blue Gene/P by exploiting the machine’s network topology to intelligently aggregate data. The approach provides a way to per http://www.mcs.anl.gov/news/detail.php?id=670 In this video from SC11, Michael Norman (SDSC), Joseph Insley (ANL), and Rick Wagner (SDSC) describe a set of ground-breaking collaborative astrophysics simulations. Essentially, the visualizations depict the formation of the first galaxies, and what http://www.mcs.anl.gov/news/detail.php?id=664 Argonne National Laboratory researchers Barry Smith and Lois Curfman McInnes have been named winners of the U.S. Department of Energy’s Ernest Orlando Lawrence Award, which honors midcareer scientists and engineers for exceptional contributions http://www.mcs.anl.gov/news/detail.php?id=662