DOESciDAC ReviewOffice of Science
SCIENCE ACCOMPLISHMENTS: Editor’s Preface
Results from High-End Computing

We present in this article some of the science accomplishments that would not have been possible without the resources of advanced computing, the SciDAC program, and the collaborations that embody the spirit of SciDAC.

SciDAC is an interdisciplinary program within the Office of Science and SciDAC science spans a spectrum of scientific disciplines ranging from the world of the ultra-small, deep within the atomic nucleus, to the majestic grandeur of stellar and cosmic dynamics. In between these scales, SciDAC programs achieve impressive advances in materials science, nanotechnology, chemistry, biology, geology, environmental science, climate modeling, and more. In addition to basic research, SciDAC also contributes to many applied sciences that rely on advanced computing for precision, predictability, and power.

The second issue of SciDAC Review will appear in 2006, which has been named the Maxwell Year in honor of James Clerk Maxwell. This follows the Einstein Year (2005), which celebrated Albert Einstein’s contributions to science. We would like to start this article on Science Accomplishments by paying tribute to some of the science milestones associated with these doyens. In addition to the direct benefits they have brought to science, technology, and society, Maxwell’s equations represent an intellectual marvel: the unification of electricity and magnetism, which were formerly perceived as distinct forces. This was a cornerstone in our attempts to unify all the fundamental forces — a dream that Einstein spent his final days trying to realize. Today, finding the physical basis of Einstein’s cosmological constant, revisited in modern science as dark energy, is one of the most challenging problems in physics. Maxwell’s equations are still used to describe the fundamental science of fusion plasmas, particle accelerators, and many other areas of basic research and applied science. All these disciplines continue to grow and acquire new insights as experimental and computational tools grow in power and precision. This evolving, reciprocal relationship between science and its enabling technologies reveals new challenges and opens the door to new horizons for future discoveries.

There have been some radical changes in the way we conduct science and recognize scientists since the days of Maxwell and Einstein. Today it is rare to see an outstanding discovery made by a single scientist. Progress is often achieved through collaborations, which may be national or global, interdisciplinary, or even between science and technology. As the world celebrates the unifying concepts of electromagnetic theory, wave-particle duality, and the space-time continuum, SciDAC Review celebrates the unification embodied in computational science. This idea was expressed beautifully in SciDAC Review (Spring 2006, p62): “The individual investigator approach has evolved into a tripartite partnership between discipline scientists, applied mathematicians, and computer scientists.” In the following sections, we discuss some of the exciting science emanating from such tripartite collaborations.
CONTENTS: SCIENCE ACCOMPLISHMENTS
Results from Lattice Quantum Chromodynamics
DR. ANDREAS KRONFELD
Novel Accelerators Using High Energy Density Plasmas
DR. WARREN MORI
Using Electromagnetic Wave Conversion to Control Fusion Plasmas
DR. PAUL T. BONOLI
Near-Wall Heat Transfer in Gas Turbine Combustors
DR. JACQUELINE CHEN
Quantum Simulations for Molecular and Material Properties
DR. GUILIA GALLI
Connecting the (Quantum) Dots
DR. ALEX ZUNGER
Predictions from Improved Climate Models
DR. PHILIP JONES
Neutron Star Spin in a 3D Supernova Simulations
DR. JOHN BLONDIN
References and Further Reading
Deep within the atomic nucleus, quarks and gluons interact by the rules of Quantum Chromodynamics (QCD) and provide clues to the fundamental structures and symmetries of nature. Earlier in this issue (p5), Nobel laureate Dr. Frank Wilczek emphasized the scientific contributions of lattice gauge theories and computational science to QCD research. In section one we elaborate on some of the predictions that SciDAC funded QCD research has made, and the experiments which have verified them.
The exploration of novel ideas and extreme environments has always been a driving force for science. The modeling of high-density plasma environments, in particular, has been integral to the fields of particle accelerator design and modern fusion research (Spring 2006, p40). Interesting results for particle accelerators are addressed in the second section of this article, while the third section discusses an area of fusion research where high-end computing and SciDAC funding have provided important results.
While fusion research attempts to realize a source of nuclear energy for the future, high-end computing has also enabled scientists to model combustion and improve the efficiency of conventional fuel burning (p42). Section four highlights one of the results achieved in this area. Sections five and six then discuss important advances in our capacity to predict the properties of bulk materials and nanoscale semiconductor crystals from first principles.
Climate research is vital to ensure our continued presence on Earth, and thus the continuation of scientific research in general. In section seven we show how the successful incorporation of biochemical processes into comprehensive climate simulation models enables improved global predictions of climate change. Moving beyond the terrestrial domain, astrophysicists use complex simulations to study the death of stars and the creation of elements essential to life. We close this article with the results for the possible origins of rotation in pulsars produced in supernova explosions.
Dr. Raymond Orbach succintly described science and why we pursue it in Issue 1 (p10) of Sci- DAC Review: “Science is a quantitative subject but there is an aesthetic quality to discovery which I think is what drives us. The scientific method is beautiful and structured in itself and it has a vigorous intellectual core.”
Science is interconnected between its multiple disciplines and advances through forward strides in the components as well as by the integral evolution of the whole. Scientific advances through high-end computing and SciDAC sponsored research add to the foundations of science and promise future expansions. Following in the footsteps of Einstein and Maxwell, SciDAC scientists pursue precision and discovery and SciDAC science adds tripartite collaborations to the ethos of discovery science.
Dr. Lali Chatterjee Editor in Chief, SciDAC Review; Senior Science Advisor and North American Editor, IOP.