Professional Background

Areas of Research 

Publications and Presentations  

• Ph.D., Physics, Ohio State University, 1994

Areas of Research:

• Molecular electronics
• spintronics
• density functional theory
• high-performance (distributed/parallel) computing
• photonics and antennas

One of Professor Raynolds' research focus areas is the use of large-scale computer calculations to study matter at the atomic scale. These calculations are based on the Density Functional Theory of electronic structure which is a methodology for solving the quantum mechanical equations for the many-electron problem. One important application area is to problems in molecular transport. Studies in this area are closely tied to experimental efforts aimed at developing electrical interconnects consisting of molecular wires. The use of theoretical calculations serves to guide and interpret experimental results. As such, calculations serve as a "virtual laboratory" in which information can be gained which may be difficult or impossible to obtain experimentally. Such calculations are also being used to study fundamental problems in spintronics. In collaboration with Professor LaBella's group, quantum calculations are being carried out to study fundamental aspects of diluted magnetic semiconductors, which serve as key components in spintronic devices.

Another of Raynolds' focus areas is aimed at developing new high-performance computer algorithms for large-scale scientific/engineering applications as well as embedded digital systems.

Other research efforts have included: (1) application of photonic systems (Frequency Selective Surfaces) to Thermo-Photovoltaic energy conversion, (2) application and theory of quantum dots for optical switching applications, and (3) development and theory of the novel concept of using ionized plasma elements in antenna systems and arrays.

Publications and Presentations

S. Ali, A. Inomata and J. Raynolds
Path integration in the field of topological defects: Case of the magnetic dispiration
(for submission to Journal of Physics A: Mathematical and Theoretical)

L. R. Mullin, J. E. Raynolds and J. J. Sasso
Optimizing the Fast Fourier Transform over memory hierarchies using Conformal Computing techniques: a fully in-cache algorithm
37 pages; (accepted for publication at Journal of Computational Physics)

H. B. Hunt, L. R. Mullin, D. J. Rosenkrantz and J. E. Raynolds
A Transformation-Based Approach for the Design of Parallel/Distributed Scientific Software: the FFT
45 pages (under review at Computer Physics Communications)

L. R. Mullin and J. E. Raynolds
Conformal Computing: Algebraically connecting the hardware/software boundary using a uniform approach to high-performance computation for software and hardware applications
132 page monograph (under review for at Lecture Notes in Computational Science, Springer-Verlag)

G. S. Rao and J. E. Raynolds
Exchange Interactions in Mn-doped Si from first principles
(in preparation for submission to Phys. Rev. B)

A. J. Stollenwerk, M. R. Krause, D. H. Idell, J. E. Raynolds and V. P. LaBella
Temperature Dependent Ballistic Electron Transmission at the Au/Si(001) Interface
(in preparation for submission to Phys. Rev. B)

J. E. Raynolds and L. R. Mullin
Applications of Conformal Computing Techniques to Problems in Computational Physics: the Fast Fourier Transform
Comp. Phys. Comm. 170, 1 (2005)

P. Haldar, H. Ye, H. Efstathiadis, J. Raynolds, M. Hennessy, O. Mueller and E. Mueller
Improving performance of cryogenic power electronics
IEEE Transactions on Applied Superconductivity, 15, 2370 (2005)

X. Y. Liu, J. E. Raynolds, C. Wells, J. Welch, and T. S. Cale
First-principles modeling of electronic transport in pi-stacked molecular junctions
J. Appl. Phys. 98, 033712 (2005); also in Virtual Journal of Nanoscale Science and Technology 12 (8) (2005)

X-Y, Liu, J.E. Raynolds, C. Wells, J. Welch, and T.S. Cale
Atomistic Modeling of Electron Transport in Self-Assembled Arene-Based Molecular Wires
In 2005 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD 2005), IEEE, 2005, p. 271-274

J. E. Raynolds, B.A. Munk, J. B. Pryor and R. J. Marhefka
Ohmic loss in Frequency Selective Surfaces
J. Appl. Phys.  93, 5346 (2003)

J. Raynolds and M. Locascio
Semiconductor nanocrystal based saturable absorbers for optical switching applications
(MRS Proceedings, Fall 2003)

B. A. Munk, J. B. Pryor, J. Raynolds and R. J. Marhefka
On Dielectric and Ohmic Losses in Frequency Selective Surfaces
24th Antenna Workshop on Innovative Periodic Antennas, Noodwijk, The Netherlands, pp. 109-114, May 30 - June 1, 2001

Spector, S. J., Astolfi, D. K., Doran, S. P., Lyszczarz, T. M., and Raynolds, J. E.
Infrared frequency selective surfaces fabricated using optical lithography and phase-shift masks
J. Vac. Sci. Technol. B 19, (2001)

P.F. Baldasaro, J.E. Raynolds, G.W. Charache, D.M. DePoy, C.T. Ballinger, T. Donovan, and J.M. Borrego
Thermodynamic Analysis of Thermophotovoltaic efficiency and power density tradeoffs
J. Appl. Phys. 89, 3319 (2001)

Raynolds, J. E.
Enhanced electro-magnetic energy transfer between a hot and cold body at close spacing due to evanescent fields
Proceedings of the 4^th NREL Conference on Thermophotovoltaic Generation of Electricity (American Institute of Physics, 1999)

Raynolds, J. E., Geller, C. B., Charache, G. W., Holden, T., Pollak, F. H., Mannstadt, W., Asahi, R., and Freeman, A. J.
Theoretical prediction of the plasma frequency and Moss-Burstein shifts for degenerately doped InAs, InGaAs and InPAs
Ibid.

Holden, T., Pollak, F. H., Freeouf, J. L., Charache, G. W., and Raynolds, J. E.
The optical constants of n- and p-doped InGaAs on InP (001) including the Burstein-Moss shift: experiment and modeling
Ibid.

Raynolds, J. E., Roddick, E. R., Smith, J. R., Srolovitz, D. J.
Impurity effects on adhesion at an interface between NiAl and Mo
Acta. Materialia 47, 3281 (1999)

Geng, W. T., Freeman, A. J., Wu, R., Geller, C. B., Raynolds, J. E.
Embrittling and strengthening effects of H, B and P, on a sigma-5 Ni grain boundary
Phys. Rev. B 60, 7149 (1999)

Charache, G. W., DePoy, D. M., Raynolds, J. E., Baldasaro, P. F., Miyano, K. E., Holden, T., Pollak, F. H., Sharps, P. R., Timmons, M. L., Geller, C. B., Mannstadt, W., Asahi, R., Freeman, A. J., Wolf, W.
Moss-Burstein and plasma reflection characteristics of heavily doped n-type InGaAs and InPAs
J. Appl. Phys. 86, 452 (1999)

Smith, J. R., Raynolds, J. E., Roddick, E. R., Srolovitz, D. J.
Universal behavior in adhesion of some high temperature materials, in Processing and design issues in high temperature materials conference
(TMS, Warrendale PA, 1998)

Raynolds, J. E., Smith, J. R., Srolovitz, D. J., Zhao, G.-L.
Adhesion in NiAl-Cr from first principles, in Fracture instability dynamics, scaling and ductile-brittle behavior symposium
(Mat. Res. Soc., Pittsburgh PA, 1996)

Raynolds, J. E., Smith, J. R., Srolovitz, D. J., Zhao, G.-L.
Adhesion in NiAl-Cr from first principles
Phys. Rev B 53, 13883 (1996)

Zhao, G.-L., Smith, J. R., Raynolds, J. E., Srolovitz, D. J.
First-principles study of the alpha-Al2O3(0001)/Cu(111) interface
Interface Science 3,289 (1996)

Smith, J. R. Raynolds, J. E., Roddick, E. R., Srolovitz, D. J.
An atomistic view of adhesion
J. of Computer-Aided Mat. Design 3 (1996)

Raynolds, J. E., Levine, Z. H., Wilkins, J. W.
Strain induced birefringence in GaAs
Phys. Rev. B 51 10477 (1995)

Raynolds, J. E., Roddick, E. R., Smith, J. R., Srolovitz, D. J.
Self-consistent, first-principles density-matrix method for total energies and electronic structure
(unpublished)

Johnson, M.A., Raynolds, J. E., Martin, D. C.
Fiber formation from fluid cones induced by electric fields
(unpublished)

Presentations:

"A uniform algebraically-based approach to computational physics and efficient programming" (2007 March Meeting of the American Physical Society, Denver)

"Exchange Interactions in Mn Doped Si From First-Principles Calculations" (2007 March Meeting of the American Physical Society, Denver)

"Exchange Interactions in Mn Doped Si From First-Principles Calculations" (13th International Workshop on Computational Physics and Materials Science; 11 - 13 January 2007, ICTP Institute, Trieste Italy)

"Abstract Machines for RASCs and Signal/Image Processing" (High Performance Embedded Computing Workshop, 2006; MIT Lincoln Labs)

"Spin waves in Mn-doped Si: Exchange interactions from first-principles calculations" (2006 Annual Review of the Interconnect Focus Center, Atlanta)

"Quantum Dissipation and Decoherence for Nano-Scale and Spintronics Systems: Electron-Phonon Interactions" (2006 Annual Review of the Interconnect Focus Center, Atlanta)

Multiscale Materials Modeling Conference, UCLA 2004 (invited presentation)

High Performance Embedded Systems (HPEC) workshop, 2004 (MIT Lincoln Labs)

American Physical Society March Meeting: 2001 (Seattle), 1999 (Atlanta), 1996 (St. Louis), 1995 (San Jose), 1994 (Pittsburgh) and 1993 (Seattle)

Materials Research Society: 2005 (San Francisco), 2004 (Boston), 2003 (Boston), 2002 (Boston) 2000 (Boston), 1998 (Boston), 1997 (San Francisco), 1996 (San Francisco) and 1995 (Boston)

1995 TMS Materials Week, Cleveland, OH (invited presentation)

1995 Supercomputing in Materials workshop, NIST, Gaithersburg, MD

Electronic structure conference: 1995 (St. Mary's College, MD), 1993 (Penn State)

Numerous internal presentations at KAPL