DOESciDAC ReviewOffice of Science

ISSN: 1935-0570
Cover story: Interview with Stanley Williams, p8

Front cover: Volume-rendered inelastic mode in a high-temperature superconductor as recorded with STM. Image courtesy of J. Ahrens, LANL.

Back cover: Advanced visualization provides new insights into complex phenomena and enables SciDAC scientists and engineers to extract meaning from massive datasets.
CONTENTS
ISSUE 10 WINTER 2008
4
6
FOREWORD: DR. JEFF NICHOLS
Research Centers for Nanoscale Science
SciDAC Review Editorial Board member Dr. Jeff Nichols introduces the theme of this issue—nanoscience.
8
INTERVIEW: STANLEY WILLIAMS COVER STORY
Science at the Nanoscale
Hewlett-Packard's R. Stanley Williams answers our questions about nanoscience research, industry, and computing.  
14
NANOPHASE MATERIALS SCIENCES  
The Computational Materials End Station at the Center for Nanophase Materials Sciences
The Computational Materials End Station allows scientists to devote less attention to the simulations and more to the science being revealed by those simulations.
22
MOLECULAR FOUNDRY
Understanding Nanoscale Systems at the Molecular Foundry
The Molecular Foundry is a DOE User Facility charged with providing support to nanoscience researchers around the world.
32
INTEGRATED NANOTECHNOLOGIES
To See is to Know: Visualization
The Center for Integrated Nanotechnologies empowers the individual researcher in materials science and nanoscience with unprecedented capabilities for exploring scientific datasets.
38
FUNCTIONAL NANOMATERIALS
Computational Energy Research at CFN
Several efforts are under way at the Center for Functional Nanomaterials (CFN) to extend computations to the nanoscale.
48
NANOSCALE MATERIALS  
Recent Trends in Computational Catalysis
Electronic structure calculations provide computational insight into the properties of different types of catalysts.
58
HARDWARE
Cortical Computing with Memristive Nanodevices
Memristive nanodevices, a name meant to suggest a resistor with memory, may be the missing element needed for building synapses at a biological scale.
66
EDITORIAL: RICK STEVENS
The Globalization of Large-Scale Computational Science
Rick Stevens of the SciDAC Review Editorial Board discusses the role of U.S. leadership within the global realm of computational science.
68
BACK COVER
Advanced visualization provides new insights into complex phenomena and enables SciDAC scientists and engineers to extract meaning from massive datasets.