Challenges in modeling materials properties without experimental input

Science

Volumn 321, Issue 5890, 2008, Pages 800-803

  Carter, Emily A ^a  

^a Princeton University   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; MAGNESIUM; METAL OXIDE; SODIUM;

EXPERIMENTAL STUDY; MODELING; PERFORMANCE ASSESSMENT; THEORETICAL STUDY;

ABSORPTION SPECTROSCOPY; ACCURACY; COMPUTER MODEL; COMPUTER SIMULATION; COST BENEFIT ANALYSIS; DENSITY FUNCTIONAL THEORY; ELECTRIC CONDUCTIVITY; ELECTRON ENERGY LOSS SPECTROSCOPY; ENERGY TRANSFER; EXPERIMENTAL STUDY; FLAME PHOTOMETRY; MEDICAL RESEARCH; MOLECULAR DYNAMICS; MONTE CARLO METHOD; PLASTICITY; PRIORITY JOURNAL; QUANTUM MECHANICS; REVIEW;

EID: 49449085576     PISSN: 00368075     EISSN: 10959203     Source Type: Journal    
DOI: 10.1126/science.1158009     Document Type: Review

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34. Funding from the NSF, the Air Force Office of Scientific Research, the Office of Naval Research, the Army Research Office, the U.S. Department of Energy, and Princeton University is gratefully acknowledged. I also thank P. Huang for critically reading and discussing the manuscript.