M. Buongiorno Nardelli

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Recent advances in theoretical methods combined with the advent of massively-parallel supercomputers allow one to reliably simulate the properties of complex materials and device structures from first principles. We describe applications in two general areas: (i) novel polymer composites for ultrahigh density capacitors, necessary for pulsed power(More)
Recent advances in theoretical methods combined with the advent of massively parallel supercomputers allow one to reliably simulate the properties of complex materials and device structures from first principles. We describe applications in two general areas: i) novel polymer composites for ultra-high-density capacitors, necessary for pulsed-power(More)
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. This paper considers two systems: boron-nitride nanotubes(More)
Recent advances in theoretical methods combined with the advent of massively-parallel supercomputers allow one to reliably simulate the properties of complex materials and device structures from first principles. We describe applications in two general areas: (i) novel ferroelectric oxide-polymer composites for ultrahigh power density capacitors, necessary(More)
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