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A cosmological simulation with the Nyx code. The white lines represent the edges of a small sample of the universe, about 50 million light years on a side, at redshift about 3.5 billion years after the Big Bang. Shown are baryons at two different densities: blue is about twice the mean baryon density in the universe; the yellow is about 10 times. The blue regions approximate areas that give rise to the Lyman-Alpha forest signal; yellow is a rough representation of regions where gas coalesces into galaxies. (Simulation by Zarija Lukić, Lawrence Berkeley National Laboratory. Image by Casey Stark, University of California, Berkeley.)

Rewinding the universe

December 17th, 2013 Updated: December 18th, 2013

Dark energy propels the universe to expand faster and faster. Researchers are using simulations to test different conceptions about how this happens.

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The NDM-1 enzyme's structure revealed a large cavity (dark gray) capable of binding a variety of known antibiotics (shown in different colors). Once bound, the enzyme can cut the carbapenem ring, destroying the compound's antibiotic activity. Modeling the interactions computationally can allow researchers to design compounds that will readily adhere to NDM-1 and prevent it from binding with antibiotics. (Argonne National Laboratory.)

Overcoming resistance

October 18th, 2012 Updated: October 18th, 2012

To find a path around antibiotic resistance, a team working with the Intrepid supercomputer at Argonne National Laboratory is simulating molecular binding interactions to rapidly vet new infection-fighting candidates.

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Multi-scale model of arterial blood flow.

Inside the skull

February 14th, 2012 Updated: February 14th, 2012

Modeling the elements of blood flow in the brain could help neurosurgeons to predict when and where an aneurysm might rupture – and when to operate.

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An optimized sequence of parameter values in nuclear simulations. (Image courtesy of Stefan Wild.)

Pounding out atomic nuclei

March 7th, 2011 Updated: November 30th, 2011

Thousands of tiny systems called atomic nuclei – specific combinations of protons and neutrons – prove extremely difficult to study but have big implications for nuclear stockpile stewardship. To describe all of the nuclei and the reactions between them, a nationwide collaboration is devising powerful algorithms that run on high-performance computers.

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This animation shows early-time pressure distribution for simulation of coolant flow in a 217-pin wire-wrapped nuclear reactor fuel subassembly, computed on 32,768 processors of the Argonne Leadership Computing Facility's Blue Gene/P. The program used nearly 1 billion data points distributed through the simulated subassembly to calculate properties like pressure and temperature over time. Please click the image to run the animation in a new window.     This animation shows early-time pressure distribution for simulation of coolant flow in a 217-pin wire-wrapped nuclear reactor fuel subassembly, computed on 32,768 processors of the Argonne Leadership Computing Facility's Blue Gene/P. The program used nearly 1 billion data points distributed through the simulated subassembly to calculate properties like pressure and temperature over time.

Nuclear predictive

September 20th, 2010 Updated: November 30th, 2011

Argonne National Laboratory applies mathematics and computation to engineer the next generation of nuclear reactors.

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Putting catalysts on track

March 1st, 2010 Updated: March 16th, 2011

Computation and experimentation combine to improve and speed design of useful compounds.

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