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Jerzy (Jerry) Bernholc

Drexel Professor


Professor Bernholc received his PhD in 1977 from the University of Lund, Sweden, after spending parts of 1975 and 1976 at the IBM T. J. Watson Research Center in New York. He was a Postdoctoral Fellow at the IBM Watson Center 1978-80 and a Senior Physicist at Corporate Research Laboratories of Exxon Research and Engineering Company 1980-86. Bernholc joined NC State University in 1986 as an Associate Professor, became Full Professor in 1990 and Drexel Professor in 2000. In 2004, he formed the Center for High Performance Simulation (ChiPS) at NCSU, of which he is the first Director. Since 2002, he also serves as a Visiting Distinguished Scientist at Oak Ridge National Laboratories.

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 and impurities, 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. 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 250 papers and 220 invited talks at conferences, edited three books, and has given over 80 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.

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Select Publications

Yan Li, Miroslav Hodak, Wenchang Luab, J. Bernholc, Nanoscale 9, 4, 1687-1698 (2017),
"Selective sensing of ethylene and glucose using carbon-nanotube-based sensors: an ab initio investigation"

Rui Dong, V. Ranjan, Marco Buongiorno Nardelli, J. Bernholc, Physical Review B 94, 1, 014210 (2016),
"First-principles simulations of PVDF copolymers with high dielectric energy density: PVDF-HFP and PVDF-BTFE"

Yan Li, Miroslav Hodak, Wenchang Lu, J Bernholc, Carbon 101, 177-183 (2016),
"Mechanisms of NH 3 and NO 2 detection in carbon-nanotube-based sensors: An ab initio investigation"

Yash Thakur, Rui Dong, Minren Lin, Shan Wu, Zhaoxi Cheng, Ying Hou, Jerzy Bernholc, QM Zhang, Nano Energy. 16, 227-234 (2015).,
"Optimizing nanostructure to achieve high dielectric response with low loss in strongly dipolar polymers"

Qing Li, Jonathan R Owens, Chengbo Han, Bobby G Sumpter, Wenchang Lu, Jerzy Bernholc, V Meunier, Peter Maksymovych, Miguel Fuentes-Cabrera, Minghu Pan, Nature Scientific Reports 3 (2013),
"Self-organized and Cu-coordinated surface linear polymerization"

V. Ranjan, M. Buongiorno Nardelli and J. Bernholc, Phys. Rev. Lett. 108, 087802 (2012).,
"Electric Field Induced Phase Transitions in Polymers: a Novel Mechanism for High Speed Energy Storage"

J. Jiang, J. Turnbull, W. Lu, P. Boguslawski, and J. Bernholc, J. Chem. Phys. 136, 014702 (2012),
"Theory of Nitrogen Doping of Carbon Nanoribbons: Edge Effects"

F. Rose, M. Hodak, and J. Bernholc, Nature Scientific Reports 1, 11 (2011),
"Mechanism of copper(II)-induced misfolding of Parkinson's disease protein"

K. K. Saha, B. K. Nikolic, V. Meunier, W. Lu, and J. Bernholc, Phys. Rev. Lett. 105, 236803 (2010),
"Quantum-Interference-Controlled Three-Terminal Molecular Transistors Based on a Single Ring-Shaped Molecule Connected to Graphene Nanoribbon Electrodes"

M. Hodak, R. Chisnell, W. Lu, and J. Bernholc, Proc. Nat. Acad. Sci. 106, 11576 (2009),
"Functional implications of multistage copper binding to the prion protein."

J. Jiang, W. Lu and J. Bernholc, Phys. Rev. Lett. 101, 246803 (2008,
"Edge states and optical transition energies in carbon nanoribbons."

V. Ranjan, L. Yu, M. Buongiorno Nardelli and J. Bernholc, Phys. Rev. Lett, 99, 047801 (2007),
"Phase Equilibria in High Energy Density PVDF-Based Polymers."

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

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),
"Optical Absorption of Water: Coulomb Effects versus Hydrogen Bonding."

Q. Zhao, M. Buongiorno Nardelli, W. Lu and J. Bernholc, Nano Letters 5, 847 (2005),
"Carbon nanotube-metal cluster composites: a new road to chemical sensors?"

W. Lu, V. Meunier, and J. Bernholc, Phys. Rev. Lett. 95, 206805 (2005),
"Non-equilibrium quantum transport properties of organic molecules on silicon."

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),
"Mn Interstitial Diffusion in GaMnAs."

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

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

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Honors & Awards

  • 2011  American Association for the Advancement of Science Fellow
  • 2011  Materials Research Society Fellow
  • 2011  Outstanding Referee, American Physical Society
  • 2003  Jesse Beams Award for Outstanding Research, Southeastern Section of the American Physical Society
  • 2002- Marquis Who's Who in the World
  • 2003  Chair, Division of Computational Physics, APS, 2003. (Vice Chair, 2001, Chair Elect, 2002, Past Chair, 2004)
  • 2001- Marquis Who's Who in America
  • 1997  Finalist, Computerworld Smithsonian Science Award
  • 1996  Creativity extension for FY97 and 98
  • 1993  Nominee for Computerworld Smithsonian Technology Leadership Award for Breakthrough Computational Science
  • 1992  Alumni Outstanding Research Award
  • 1991  Fellow, American Physical Society
  • 1982- American Men and Women of Science
  • 1979  "Outstanding Innovation Award" for work on "Electronic Structure of Point Defects in Solids," IBM Research Division
  • 1978  The King Oscar the IInd Award, Sweden
  • 1972  Lund Mathematical Society Award, Sweden