Science & Technology

A new method that combines molecular dynamics and density functional theory simulations allows researchers to interpret Near X-Ray Absorption Fine Structure spectra of protein-salt solutions.

Simulations using CCSM on Bassi showed how flowering plants cool the Earth and why they do it better than non-flowering plants. Answer: they're better at transpiration.

Taking advantage of special relativity, a new computational method results in up to 300-fold speedup of plasma-based accelerator simulations

Simulations of wave-plasma interactions are laying the foundation for understanding how high-power radio frequency waves will heat the deuterium/tritium fuel and control plasma behavior in the giant ITER magnetic confinement device.

Recent work by LBNL researchers has demonstrated a way to make the computational cost of Density Functional Theory (DFT) calculations scale linearly with the size of the chemical system being studied, instead of as the third power as in conventional DFT.

As part of the SciDAC Center for Extended Magnetohydrodynamic Modeling effort NERSC user Linda Sugiyama of MIT developed an extended, multi-level MHD code that has demonstrated a new class of nonlinear plasma instability. The result may be critical for ensuring the safety and success of upcoming magnetic confinement fusion experiments.

Graduate student Kevin Driver's Quantum Monte Carlo simulations on Franklin show why the mineral silica populates our planet only superficially. His studies of phase stability, equations of state, and elasticity of high-pressure, high-temperature SiO₂ may one day help scientists understand geological processes like earthquakes and volcanic eruptions.

A new cloud-resolving global climate model developed by scientists computing at NERSC for over a decade may reduce the uncertainty of climate forecasting. The model uses a geodesic grid designed to provide unprecedented resolution and also take advantage of future extreme-scale computers.

Lattice QCD computations done at NERSC are helping scientists better understand the quark soup that was our universe milliseconds after its birth. This, in turn, will help physicists build better models of atomic nuclei.

Using NERSC's PDSF system, physicists have detected and confirmed the first-ever antimatter hypernucleus, a discovery that has implications spanning nuclear/particle physics, astrophysics, and cosmology.

UC Berkeley researchers Burkhard Militzer and Hugh Wilson explain why there is a scarcity of neon in the outer layers of the planet Jupiter. DFT computations run at NERSC enabled the discovery. (March, 2010)

Researchers have produced the best physics, highest resolution simulations anyone has run to date of Star-Forming Galaxies. (March, 2010)

A copy of all data from the historic Sudbury Neutrino Observatory will live on at NERSC. The DOE investment in the experiment will be protected by preserving the unique datasets on NERSC's HPSS system. (February, 2010)

Applying data mining and scientific visualization to large cultural data sets to reveal trends in media and design. (February, 2010)

Introduction of oxygen into the semiconductor zinc selenide will produce a "highly mismatched alloy" for which thermoelectric performance is substantially enhanced. (January, 2010)

Molecular dynamics simulations done at NERSC by Prof. Petr Král and his students have shown how water nanodroplets activate and guide the folding of planar graphene nanostructures. The studies are part of systematic evaluations of an amazing world of nanostructures that includes functionalized graphene nanopores, rotary tunneling nanomotors, water nanopropellers, and more. (December, 2009)

Researchers have explained the key finding that electrical resistance through a molecular junction - a nanometer-scale circuit consisting of a single molecule in contact with gold wires - can be turned on / off by pushing / pulling the junction. The discovery has great significance for design of future molecular-scale circuit elements. (December, 2009)

NERSC is aiding in the long and complicated process of understanding data from the Planck spacecraft that is attempting to illuminate the nature and origin of dark matter in the universe. (December, 2009)

Simulations show that cuts in greenhouse gas emissions would save arctic ice, reduce sea level rise. (October, 2009)

Ji Qiang and John Corlett are using the IMPACT series of codes to model 1+ billion electrons in a linear accelerator. The simulations are helping to design the injector for a future Free Electron Laser light source. Franklin will give the researchers computer power to run their model at 10 times the time, space and energy resolution of previous machines. (October, 2009)

Simulation of practical-scale combustion devices is an immense undertaking but NERSC Principal Investigator John Bell has had enormous success in developing methods that allow new insights into Laboratory-Scale Turbulent Premixed Flames and Low Swirl Burners. (September, 2009)

Software for finding hidden oil and gas reserves developed by LBNL scientists Gregory Newman and Michael Commer using NERSC's Franklin system scales easily to 10s of thousands of cores and was honored with a 2009 R&D 100 Award. (September, 2009)

This project uses an Ensemble Kalman filter to reconstruct global weather conditions in six-hour intervals from 1871 to the present. The aim is to validate tools for future projections by successfully recreating -- and explaining -- climate anomalies of the past. (September, 2009)

Simulations show that sources of variability in type 1a supernovae will have to be taken into account if astronomers are to use them as "standard candles." (August, 2009)

William & Mary Professor of Physics William Detmold and his colleagues have achieved the first quantum chromodynamics (QCD) calculations of the three-body force between hadrons. A better understanding of these interactions could ultimately improve models of nuclei, as well as provide valuable insights into the life and death of stars. (August, 2009)

Professor Paola Cessi's group (Scripps Institution of Oceanography) recently performed over 15,000 years worth of deep ocean circulation simulations on Franklin. Insights from this will increase understanding of how oceans circulate and how changes in the atmosphere affect these processes. (July, 2009)

Laser-plasma acceleration of charged particles shows great promise for reducing the cost and size of next-generation electron and positron accelerators. Simulation at NERSC is playing a key role in understanding beam dynamics and propagation, evaluating controlled injection, and improving interpretation of diagnostics. (May, 2009)

NERSC astronomers, computer scientists, and engineers are collaborating to develop a user-friendly database system and interface to instantly serve up high-resolution cosmic reference images to astronomers around the globe. The tools and infrastructure for this Deep Sky project could eventually help other scientific disciplines share massive datasets as well. (March, 2009)

Professor Giulia Galli and co-workers from the University of California, Davis are using the Bassi and Franklin supercomputers to determine if silicon can be used as an efficient thermoelectric material, one that turns heat into electricity. (March, 2009)

Professor Teresa Head-Gordon's project seeks to develop an understanding of the entire aggregation process that ultimately leads to the specific structure of the fundamental agents responsible for Alzheimer's Disease. The results of this research could lead to new therapeutics. (April, 2008)