Prof. Bernholc joined NCSU's Physics Department in 1986. He also serves as a Visiting Distinguished Scientist at Oak Ridge National Laboratory. Dr. Bernholc obtained a B.S. degree with a double Major in Physics and Mathematics in 1973 and a Ph.D. in Physics from University of Lund, Sweden in 1977. He was a Postdoctoral Fellow at IBM T.J. Watson Research Center 1978-80 and a Senior Physicist at Corporate Research Laboratories of Exxon Research and Engineering Company 1980-86.
Areas of Interest
Prof. Bernholc is working in several subfields of theoretical condensed matter and materials physics, and in biophysics. In the area of semiconductors, he has contributed significantly to the theory of defects, impurities, and diffusion, semiconductor surfaces and steps, and surface optical response. In the emerging field of fullerenes, contributions include predictions of fundamental properties of solid C60 soon after its discovery. For nanotubes, the primary growth modes were uncovered and their extreme strength — over 10 times greater than steel at one sixth the weight — was predicted through simulations. Another important area of research is new methodology for electronic structure calculations, using advanced mathematical techniques and harnessing the power of parallel computers. A real-space multigrid method, developed at NCSU, enables ab initio studies of very large systems. It has been extensively used in large-scale simulations of semiconductors, nanotubes and graphene, and in studies of quantum transport in nanoscale systems. A recently developed hybrid real-space method enables accurate, quantum-mechanical simulations of large solvated biomolecules and of biomolecular aspects of human diseases. The first applications of this method concern the role of copper in prion and Parkinson diseases.
Current research focuses on nanoscale science and technology, nano and molecular electronics, energy storage mechanisms, the role of transition metals in human metabolism and diseases, and algorithms and methodology of high-performance scalable parallel computing.
Prof. Bernholc has co-authored over 230 papers and 200 invited talks at conferences, edited three books, and has given over 70 seminars and colloquia at Universities and Research Centers. Illustrations from his work appeared on the covers of Physics Today, Physics World, Science, Science News, and Science and Engineering Indicators. He helped organize over 50 conferences and symposia, and co-chaired workshops on Recent Developments in Electronic Structure Algorithms; CECAM's Grid, Multigrid and Wavelet Methods in Electronic Structure Calculations, and NATO's Multiscale Computational Methods in Chemistry and Biology. He is listed in Who's Who in America and Who's Who in the World. He was elected Chair of the Division of Computational Physics of the American Physical Society and served on numerous government panels and committees, e.g., he chaired the Scientific Advisory Board of the Center for Nanophase Materials Science at ORNL.
"Functional implications of multistage copper binding to the prion protein," M. Hodak, R. Chisnell, W. Lu, and J. Bernholc, Proc. Nat. Acad. Sci. 106, 11576 (2009).
"Edge states and optical transition energies in carbon nanoribbons," J. Jiang, W. Lu and J. Bernholc, Phys. Rev. Lett. 101, 246803 (2008).
"Doping-dependent negative differential resistance in hybrid organic/inorganic Si-porphyrin-Si junctions," F. J. Ribeiro, W. Lu, and J. Bernholc, ACS Nano 2, 1517 (2008).
"Phase Equilibria in High Energy Density PVDF-Based Polymers," V. Ranjan, L. Yu, M. Buongiorno Nardelli and J. Bernholc, Phys. Rev. Lett, 99, 047801 (2007).
"Interfacial segregation and electrodiffusion of dopants in AlN/GaN superlattices," P. Boguslawski, N. Gonzalez Szwacki, and J. Bernholc, Phys. Rev. Lett. 96, 185501 (2006).
"Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding", P. H. Hahn, W. G. Schmidt, K. Seino, M. Preuss, F. Bechstedt, and J. Bernholc, Phys. Rev. Lett. 94, 037404 (2005), also in Virtual Journal of Biological Physics Research, February 1 (2005).
"Carbon nanotube-metal cluster composites: a new road to chemical sensors?" Q. Zhao, M. Buongiorno Nardelli, W. Lu and J. Bernholc, Nano Letters 5, 847 (2005).
"Non-equilibrium quantum transport properties of organic molecules on silicon," W. Lu, V. Meunier, and J. Bernholc, Phys. Rev. Lett. 95, 206805 (2005).
"Mn Interstitial Diffusion in GaMnAs," K.W. Edmonds, P. Boguslawski, B.L. Gallagher, R.P. Campion, K.Y. Wang, N.R.S. Farley, C.T. Foxon, M. Sawicki, T. Dietl, M. Buongiorno Nardelli, J. Bernholc, Phys. Rev. Lett. 92, 037201 (2004).
"Point defects and impurities in SiC and group III-nitrides," P. Boguslawski and J. Bernholc, Encyclopedia of Materials: Science and Technology, Elsevier (2001).
"Computational materials science: the era of applied quantum mechanics," Physics Today, September, p. 30 (1999).
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