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Another Milestone for Computational Chemistry

Nobel Prize

On October 9, the Nobel Prize in Chemistry 2013 was jointly awarded to Martin Karplus, Michael Levitt and Arieh Warshel “for the development of multiscale models for complex chemical systems.” A New York Times article said the three researchers were awarded the Nobel Prize “for work that did not involve test tubes or lab coats. Instead, they explored the world of molecules virtually, with computers.” This is another key milestone in the solidification of computational chemistry as an important discipline for current and future researchers. It has been more than 50 years since the Nobel Prize in Chemistry was awarded to Linus Pauling “for his research into the nature of the chemical bond and its application to the elucidation … [Read more...]

Computing Models Advancing as Oil and Gas Industry Demands Change

Oil and Gas_2

The oil and gas industry has long been among the leading practitioners of supercomputing technology, as 3D seismic data processing has been a staple of the sector for years. Recent developments in the industry have added additional layers of complexity and opportunity that promise to improve exploration and production operations - Permanent Reservoir Monitoring, or PRM. In the past, the development plan for a newly discovered field was based entirely on the original seismic data, observations made by the discovery and subsequent wells. In the previous two decades, it had been demonstrated at more than twenty producing fields around the world that when 3D seismic surveys were repeated two or three times a year it was possible to detect … [Read more...]

HPC Industry Poised to Support BRAIN Initiative

BRAIN Initiative

According to researchers at MIT, 40 million Americans suffer from anxiety disorders, such as posttraumatic stress disorder, social phobias and obsessive-compulsive disorder. Experts say that treating these kinds of anxiety disorders can benefit from a better understanding of the brain circuits. While neuroscientists have taken major strides in understanding the human brain, the next step requires a multi-disciplinary approach where neuroscientists work side by side with researchers and computer scientists. President Obama's recently announced Brain Research through Advancing Innovative Neurotechnologies (BRAIN) Initiative, a National Institutes of Health (NIH) program aimed at improving our understanding of the human brain. The BRAIN … [Read more...]

Cray Roundtable Leads to Key Discussions on HPC Needs in Academia

XSEDE Followup

The steady advancement of computational and storage technologies available in modern supercomputing is changing how colleges and universities train future scientists, engineers and other professionals. It is also leading to a shift in how they enable faculty members and commercial partners to do the kind of ground-breaking research that has come to be expected in academia. At Cray, we want to both anticipate and embrace advances, and we recently hosted a higher-education roundtable discussion at the XSEDE Conference to engage in some serious talks about how supercomputing technologies need to change in light of new needs in academia. … [Read more...]

The Critical Role of Supercomputers in Weather Forecasting

Weather QA

Weather and climate shape economies and infrastructures. From food supply to recreational activities to energy resources, they touch upon nearly every aspect of our daily lives. Unfortunately, weather and climate also cause great losses, both human and economic.  In 2012, losses from natural disasters and extreme weather events totaled about $160 billion — underscoring the need for continued advancements in observational and predictive capabilities. Supercomputing plays an enormous part in the weather forecasting segment, particularly as the practice evolves to adapt to constantly changing weather patterns. Per Nyberg, director of business development with Cray, has worked extensively with leading weather and climate centers … [Read more...]