Drexel Professor of Physics and

Director, Center for High

Performance Simulation

North Carolina State University

Raleigh, NC 27695-7518

 

Visiting Distinguished Scientist

Oak Ridge National Laboratory

Oak Ridge, Tennessee

 

Phone: (919) 515-3126

Email: bernholc@ncsu.edu

Fax: (919) 513-4804

Office: 121 Partners III

 

Administrative Assistant

Cecilia Upchurch (919) 513-4803

Office: 120F Partners III

Cecilia_Upchurch@ncsu.edu

 Biography

Prof. Bernholc joined NCSU's Physics Department in 1986. 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.

Research Activities

Prof. Bernholc is working in several subfields of theoretical condensed matter and materials physics. 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 used extensively in large-scale simulations of semiconductors, nanotubes and biomolecules, and in studies of quantum transport in nanoscale systems.

Current research focuses on nanoscale science and technology, nano and molecular electronics, novel nanostructured and bio-inspired materials, O(N) electronic structure and quantum transport methods, multilevel acceleration in electronic structure calculations, multiscale methods, and scalable parallel computing.

Prof. Bernholc has co-authored over 200 papers and 175 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. He currently chairs the Scientific Advisory Board of the Center for Nanophase Materials Science at ORNL.

 

Selected publications

"Computational materials science: the era of applied quantum mechanics," Physics Today, September, p. 30 (1999).

"Point defects and impurities in SiC and group III-nitrides," P. Boguslawski and J. Bernholc, Encyclopedia of Materials: Science and Technology, Elsevier (2001).

"Mechanical and Electrical Properties of Nanotubes," J. Bernholc, D. Brenner, M. Buongiorno Nardelli, V. Meunier, and C. Roland, Annual Rev. Mat. Sci. 32, 347–75 (2002).

"Ab initio investigations of lithium diffusion in carbon nanotube systems," V. Meunier, C. Roland, J. Bernholc, Phys. Rev. Lett. 88, 075506 (2002).

"Surface Segregation of Ge at SiGe(001) by Concerted Exchange Pathways," P. Boguslawski and J. Bernholc, Phys. Rev. Lett. 88, 166101 (2002).

"Mn Interstitial Diffusion in GaMnAs," K.W. Edmonds, P. Boguslawski, B.L. Galla-gher, 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).

"Ab initio studies of polarization and piezoelectricity in vinylidene fluoride and BN-based polymers," S. M. Nakhmanson, M. Buongiorno Nardelli and J. Bernholc, Phys. Rev. Lett. 92, 115504 (2004).

"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).

"Interfacial segregation and electrodiffusion of dopants in AlN/GaN superlattices," P. Boguslawski, N. Gonzalez Szwacki, and J. Bernholc, Phys. Rev. Lett. 96, 185501 (2006).

Research Support