File : pdf, 2.3 MB, 52 pages
TOC
I. Introduction
A. The Purpose of the Workshop
B. Parallel Dramatic Advances in Experiment and Theory
C. The Central Challenge
D. Key Barriers to Progress in Theory and Modeling in Nanoscience
E. Consensus Observations
F. Opportunity for an Expanded Role for the Department of Energy
G. Need for Computational Resources and Readiness to Use Them
H. Summary of Specific Challenges and Opportunities
Giant Magnetoresistance in Magnetic Storage
II. Theory, Modeling, and Simulation in Nanoscience
A. Nano Building Blocks
Transport in Nanostructures: Electronic Devices
Optical Properties on the Nanoscale: Optoelectronic Devices
Coherence/Decoherence Tunneling: Quantum Computing
Soft/Hard Matter Interfaces: Biosensors
Spintronics: Information Technology
Implications for Theory and Modeling
B. Complex Nanostructures and Interfaces
C. Dynamics, Assembly, and Growth of Nanostructures
III. The Role of Applied Mathematics and Computer Science in Nanoscience
A. Bridging Time and Length Scales
B. Fast Algorithms
Linear Algebra in Electronic Structure Calculations
Monte Carlo Techniques
Data Exploration and Visualization
Computational Geometry
C. Optimization and Predictability
Optimization
Predictability
Software
Download : pdf1
