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Expert has theoretically studied various carbon clusters since 1985. The work included modeling of the aggregation of carbon vapor, studies of the dynamics and formation of C60 and other fullerenes, computation of band structure and doping properties of buckytubes, and investigation of the stabilities of large multilayer fullerenes (or the so-called "bucky-onions"). He has hands-on experience in a variety of techniques, including quantum molecular dynamics, semi-empirical methods, and various force fields.

During most of his professional career, he has worked on the theory of impurities, doping, and diffusion in semiconductors. He has considered both shallow and deep impurities, as well as native defects, which can introduce electrically-active levels, as well as mediate the diffusion of dopants. His recent studies have concentrated upon self-diffusion and n-type doping in diamond; impurity-induced interdiffusion in GaAS/AlAs superlattices; and the doping and self-compensation effects in SiC and GaN.

His general area of expertise is in theoretical condensed matter physics and chemistry, as well as theoretical materials science. His interests have been fairly broad, and have included solids, surfaces, interfaces, and clusters. Expert has substantial experience in determining the atomic, elastic, and electronic properties of crystals through band structure and total energy methods, both first-principles (e.g. quantum molecular dynamics) and semi-empirical.

Expert has theoretically studied the band structure, doping, diffusion, and native defects in GaAs. He has also investigated the mechanisms of impurity-induced disordering in GaAs/AlAs structures. He has worked on the theory of semiconductor materials during most of his professional career. This includes band structure theory, impurities and doping, surfaces and interfaces, and recently, mechanisms of growth.