Donald Noid Ph.D.

Noid, Donald
Position Department / Business Unit
Division of Computer Science and Mathematics
Institution Disciplines
Oak Ridge National Laboratory Quantum Dots
City State / Provence
Oak Ridge Tennessee
Country Website
U.S.A. link

Dr. Noid's current research interests include: nonlinear dynamics, quantum dynamics of large molecular systems, theoretical aspects of molecular and polymer spectroscopy, energy transfer processes , chemical kinetics, laser chemistry, applications of neural networks, fuzzy logic, genetic algorithms, nanotechnology & micro-mechanical systems, and ultrafine polymer particles, polymer quantum dots.

Interests and Expertise:

Theoretical Chemistry and Physics, Polymers, Nano-Technology, Neural Networks, Nano-Chemistry, Nuclear Enhanced Decay.


Ph.D. in theoretical chemistry in 1976 from the University of Illinois;

Career Highlights

Education, Professional Experience, Activities, and Honors:

Dr. Donald W. Noid received his Ph.D. in theoretical chemistry in 1976 from the University of Illinois under the guidance of Professor R. A. Marcus, Nobel Laureate. After a year as an NSF energy-related Postdoctoral Fellow working on picosecond laser experiments at the University of Illinois, he accepted a Eugene Wigner Fellowship and staff position at Oak Ridge National Laboratory where he is currently a Distinguished Senior Scientist in the Computer and Mathematics Division. From 1981 until 2003 he was an Adjunct Professor at The University of Tennessee in Knoxville. In 1983 he spent a one-year sabbatical in the Theoretical Chemistry Institute at the University of Wisconsin as the Theoretical Institute Fellow and Visiting Associate Professor. Dr. Noid was a visiting senior scientist at the Institute of Defense Analyses for a one-year period in 1985-1986. In 2003, he became an Adjunct Professor at The University of Illinois in Urbana Illinois during his current offsite assignment from ORNL.He has also served as a consultant to various organizations, including the Advanced Isotope Separation Group at K-25, Physical Sciences Inc. and the ALZA corporation . During the period 1992-1994, he was involved in a technology transfer project involving computational polymer chemistry with the Hoechst Celanese Corporation. He joined the polymer group at ORNL in 1984 and has served on the editorial board of the journal Macromolecular Theory and Simulation since its inception. In 2002 he was chosen to serve on the editorial board of Theoretical Chemistry Accounts.

Since 1972 Dr. Noid has been involved in studying nonlinear dynamics and chaos in a variety of applications. Noid was the first graduate student in chemistry to work in this field and has contributed several theoretical methods, as well as elucidated many ramifications of nonlinear and chaotic behavior in these studies. Projects worked on during this period have included infrared multi-photon dissociation of molecules, molecular spectroscopy, molecular collisions, atomic dynamics in strong magnetic fields, nuclear dynamics of the gamma ray laser, dynamical properties of polymers, properties of polymer nano-particles, polymer quantum drops and the study of nanotechnology for the development of a variety of nano-devices.
Current research is focusing on the development of new methods for large scale normal coordinate analysis of biological macromolecules. During the course of his research, Dr. Noid has authored or co-authored over two hundred and fifty publications, presented a similar number seminars and presentations in the U.S. and Europe and is the principle author on one patent for a novel method to make polymer nano-particles. This work has been very highly cited and is listed among the top 2000 most cited chemist (out of over 600,000 chemist publishing) during the last ~20 years. Another major emphasis currently involves applying neural network concepts to chemistry and polymer physics. In 1994, he was a co-organizer of the 1st DOE Workshop on Neural Network Application to Material Science.

Important Articles

Selected Relevant Publications:

1. D. W. Noid, M. L. Koszykowski, and R. A. Marcus, "Quasiperiodic and Stochastic Behavior in Molecules," Ann. Rev. Phys. Chem. 32, 267-309 (1981).
2. J. B. Delos, S. K. Knudson, and D. W. Noid, "High Rydberg States of an Atom in a Strong Magnetic Field," Phys. Rev. Lett. 50, 579-583 (1983).
3. J. T. Muckerman, D. W. Noid, and M. S. Child, "Local Modes and Cross-Correlation Functions," J. Chem. Phys. 78, 3981-3989 (1983).
4. J. R. Stine and D. W. Noid, "On Determining the Number of Stochastic Degrees of Freedom in Polyatomic Molecules," Chem. Phys. Lett. 100, 282-286 (1983).
5. D. W. Noid, S. K. Gray, and S. A. Rice, "Fractal Behavior in Collisional Energy Transfer," J. Chem. Phys. 84, 2649-2652 (1986).
6. M. L. Koszykowski, C. M. Rohlfing, and D. W. Noid, "The Use of ab initio Electronic Structure Energies in the Semiclassical Calculation of Vibrational Spectra," Chem. Phys. Lett. 142, 67-70 (1987).
7. D. W. Noid and G. A. Pfeffer, "Dispersion Curves from Short Time Molecular Dynamics Simulations: Stressed Polyethylene Results," J. Poly. Sci.: Polymer Phys. Ed. 27, 2321-2335 (1989).
8. D. W. Noid, B. G. Sumpter, B. H. Wunderlich, and G. A. Pfeffer, "Molecular Dynamics Simulation of Polymers: Method for Optimal FORTRAN Programming," J. Comp. Chem. 11, 236-241 (1990).
9. J. Müller, J. Burgdörfer, and D. W. Noid, "Semiclassical and Quantal Eigenenergies in the Wake Potential," Chem. Phys. Lett. 178, 60-64 (1991).
10. R. Roy, B. G. Sumpter, G. A. Pfeffer, S. K. Gray, and D. W. Noid, "Novel Methods for Spectral Analysis," Comp. Phys. Report 205, 109-152 (1991).
11. J. Müller, J. Burgdörfer, and D. W. Noid, "Torus Quantization of Symmetrically Excited Helium," Phys. Rev. A 45, 1471-1478 (1992).
12. C. Wozny, B. G. Sumpter, and D. W. Noid, "A Molecular Dynamics Method for Obtaining the Vibrational Spectra of Macromolecules", J. Chem. Phys. 100,3520-3531 (1994).
13. B. G. Sumpter, C. Getino, and D. W. Noid, "Theory and Applications of Neural Computing in Chemical Science," Ann. Rev. Phys. Chem., 45,439-481 (1994)
14. S. K. Gray, D. W. Noid and B. G. Sumpter, Sympletic Integrators for Large Scale Molecular Dynamics Simulations: A Comparison of Several Explicit Methods, J. Chem. Phys., 101, 4062-4072 (1994).
15. F. X. Hartman, D. W. Noid and Y. Y. Sharon, "Semiclassical Model of Nuclear Energy Transfer by Electronic Motion in Intense Ultra-Short Wavelength Laser Fields," Laser Physics , 5, 371-378 (1995).
16. R. E. Tuzun, D. W. Noid and B. G. Sumpter, "An Internal Coordinate Quantum Monte Carlo Method for calculating vibrational ground state energies and wave functions of large molecules: A Quantum Geometric Statement Function Approach" J. Chem. Phys. 105 , 5494-5502 (1996).
17. D. W. Noid, R. E. Tuzun and B. G. Sumpter, "On the Importance of Quantum Mechanics for Nanotechnology", Nanotechnology 8 , 119-125 (1997) .
18. K Sohlberg, R. E. Tuzun, B. G. Sumpter. and D. W. Noid, "Full Three-Body Primitive Semiclassical Treatment of H2+ ," Phys Rev A 57 , 906-913 (1998).
19. D. W. Noid, K. Fukui, B. G. Sumpter, C. Yang and R. Tuzun, “Time Averaged Normal Coordinate Analysis of Polymer Particles”, Chem. Phys. Lett .316 , 285-296 (2000)
20. D. W. Noid, J. U. Otaigbe, M. D. Barnes, B. G. Sumpter and C. Y. Kung APPARATUS FOR AND METHOD OF PRODUCING MONODISPERSE SUBMICRON POLYMER POWDERS FROM SOLUTION Patent: 6,461,546 Granted: October 8, 2002 Appl. No.: 559714 FILED April 26, 2000
21. J Otaigbe, M. Barnes, K. Fukui, B. G. Sumpter, and D. W. Noid “Generation, Characterization, and Modeling of Polymer Micro- and Nano- Particles” Adv of Poly. Science 154 , 1-86 ( 2001)
22. M. D. Barnes, S. M. Mahurin, B. G. Sumpter, and D. W. Noid, “3-D Strings and Columns from Sequentially Attached Polymer-Blend Microparticles”, Phys. Rev. Lett. 88 , 155081-155084 (2002)
23. C. Yang, P Radhavan, L. Arrowood, D. W. Noid, B. G. Sumpter, and R. E. Tuzun, “Large Scale Normal Coordinate Analysis on Distributed Memory Parallel Systems” , International Journal of High Performance Computing Applications 16, 409-424 (2002)
24. B. G. Sumpter, D. W. Noid, M. D. Barnes, and J. U. Otaigbe , “Polymer Nano-Particles” Encyclopedia of Nano-Science and Nano-Technology , American Scientific Publishers, ISBN 1-58883-001-2 , p 1-30 (2003)

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