Journal
COMPUTING IN SCIENCE & ENGINEERING
Volume 6, Issue 6, Pages 12-21Publisher
IEEE COMPUTER SOC
DOI: 10.1109/MCSE.2004.78
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Recent advances in theoretical methods and high-performance computing allow for reliable first-principles investigations of complex materials. This article focuses on calculating and predicting the properties of piezoelectrics and designing new materials with enhanced piezoelectric responses. The authors consider two systems: boron-nitride nanotubes (BNNTs) and polymers in the polyvinylidene fluoride (PVDF) family.
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