1. Michael Sisak, Robert E. Tuzun, and Don Secrest,
"Orbiting in high energy scattering",
*Journal of Chemical Physics* **94**, 6491-6499 (1991).

2. Robert E. Tuzun and Don Secrest,
"Numerical evaluation of Kratzer oscillator matrix elements",
*Computer Physics Communications* **70**, 362-370 (1992).

3. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Automatic differentiation as a tool for molecular dynamics simulations",
*Computational Polymer Science* **4**, 75-78 (1994).

4. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Dynamics of a laser driven molecular motor",
*Nanotechnology* **6**, 52-63 (1995).

5. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"The dynamics of molecular bearings",
*Nanotechnology* **6**, 64-74 (1995).

6. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Molecular dynamics treatment of torsional interactions
accompanied by dissociation",
*Macromolecular Theory and Simulations* **4**, 909-920 (1995).

7. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Efficient computation of potential energy first and second derivatives
for molecular dynamics, normal coordinate analysis, and molecular
mechanics calculations",
*Macromolecular Theory and Simulations* **5**, 771-788 (1996).

8. Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, and
Ralph C. Merkle,
"Dynamics of fluid flow inside carbon nanotubes",
*Nanotechnology* **7**, 241-246 (1996).

9. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Computer modeling and simulation of macromolecular systems:
Approaching the experimental regime",
*Trends in Polymer Science* **4**, 223-228 (1996).

10. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"An internal coordinate quantum Monte Carlo method for calculating
vibrational ground state energies and wavefunctions of large molecules:
a quantum geometric statement function approach",
*Journal of Chemical Physics* **105**, 5494-5502 (1996).

11. Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, and
Ralph C. Merkle,
"Dynamics of He/C_{60} flow inside carbon nanotubes",
*Nanotechnology* **8**, 112-118 (1997).

12. **Feature article:**

Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, and Christopher E. Wozny,
"Recent advances in polymer molecular dynamics simulation and data analysis",
*Macromolecular Theory and Simulations* **6**, 855-880 (1997).

13. Karl Sohlberg, Robert E. Tuzun, Bobby G. Sumpter, and Donald W. Noid,
"Application of rigid body dynamics and semiclassical mechanics to
molecular bearings",
*Nanotechnology* **8**, 103-111 (1997).

14. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Treatment of multi-body interactions in molecular simulations of systems
with general bond networks",
*Journal of Computational Chemistry* **18**, 1513-1522 (1997).

15. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Efficient treatment of out-of-plane bend and improper torsion interactions
in MM2, MM3, and MM4 molecular mechanics calculations"
*Journal of Computational Chemistry* **18**, 1804-1811 (1997).

16. Donald W. Noid, Robert E. Tuzun, and Bobby G. Sumpter,
"On the importance of quantum mechanics for nanotechnology",
*Nanotechnology* **8**, 119-125 (1997).

17. Robert E. Tuzun, Bobby G. Sumpter, and Donald W. Noid,
"The dynamics of macromolecules below the zero point energy:
Too much classical chaos",
*Macromolecular Theory and Simulations* **7**, 203-209 (1998).

18. Karl Sohlberg, Robert E. Tuzun, Bobby G. Sumpter, and Donald W. Noid,
"Full three-body semiclassical treatment of H_{2}^{+}",
*Physical Review A* **57**, 906-913 (1998).

19. Robert E. Tuzun, Karl Sohlberg, Donald W. Noid, and Bobby G. Sumpter,
"Docking envelopes for the assembly of molecular bearings",
*Nanotechnology* **9**, 37-48 (1998).

20. Karl Sohlberg, Bobby G. Sumpter, Robert E. Tuzun, and Donald W. Noid,
"Continuum methods of mechanics as a simplified approach to structural
engineering of nanostructures",
*Nanotechnology* **9**, 30-36 (1998).

21. Robert E. Tuzun, Paul Burkhardt, and Don Secrest,
"Accurate computation of individual and tables of 3-j and 6-j symbols",
*Computer Physics Communications* **112**, 112-148 (1998).

22. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Computation of internal coordinates, derivatives, and gradient
expressions: torsion and improper torsion",
*Journal of Computational Chemistry* **21** 553-561 (2000).

23. Donald W. Noid, Kazuhiko Fukui, Bobby G. Sumpter, Chao Yang,
and Robert E. Tuzun,
"Time averaged normal coordinate analysis of polymer particles and
crystals",
*Chemical Physics Letters* **316** 285-296 (2000).

24. Kazuhiko Fukui, Bobby G. Sumpter, Chao Yang, Donald W. Noid,
and Robert E. Tuzun,
"Large-scale normal coordinate analysis of macromolecular systems:
thermal properties of polymer particles and crystals",
*Journal of Physical Chemistry B* **104** 526-531 (2000).

25. Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid, Chao Yang,
and Robert E. Tuzun,
"Spectral analysis for macromolecular systems: chain length effects in
polymer particles", *Journal of Polymer Science: Polymer Physics*
**38**, 1812-1823 (2000).

26. Chao Yang, Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid,
and Robert E. Tuzun,
"Calculating the density of states for large-scale polymer systems",
*Macromolecular Theory and Simulations* **9**, 428-432 (2000).

27. Osman Yasar, Kaluthar S. Rajasethupathy, Robert E. Tuzun,
R. Alan McCoy, and Joseph A. Harkin,
"Computational science education at SUNY Brockport",
*IEEE Computing in Science and Engineering*
**2**, 74-79 (2000).

28. Chao Yang, Barry W. Peyton, Donald W. Noid, Bobby G. Sumpter,
and Robert E. Tuzun,
"Large-scale normal coordinate analysis for molecular structures",
*SIAM Journal of Scientific Computing* **23**, 563-582 (2001).

29. Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid, Chao Yang,
and Robert E. Tuzun,
"Analysis of eigenvalues and eigenvectors of polymer particles: random
normal modes", *Computational and Theoretical Polymer Science*
**11**, 191-196 (2001).

30. Chao Yang, Donald W. Noid, Bobby G. Sumpter, Danny O. Sorensen,
and Robert E. Tuzun,
"An efficient algorithm for calculating the heat capacity of a large-scale
molecular system", *Macromolecular Theory and Simulations*
**10**, 756-761 (2001).

31. Chao Yang, Padma Raghavan, Lloyd Arrowood, Donald W. Noid,
Bobby G. Sumpter, and Robert E. Tuzun,
"Large-scale normal coordinate analysis on distributed memory parallel
systems", *International Journal of High Performance Computing*
**16**, 409-424 (2002).

32. Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, and Chao Yang,
"Normal coordinate analysis for polymer systems: capabilities and new
opportunities", *Macromolecular Theory and Simulations*
**11**, 711-728 (2002).

33. **Feature article:**

Bryan C. Hathorn, Bobby G. Sumpter, Donald W. Noid, and Robert E. Tuzun,
"Vibrational normal modes of polymer nanoparticle dimers using the time
averaged
normal coordinate analysis method", *Journal of Physical Chemistry A*
**106**, 9174-9182 (2002).

34. Bryan C. Hathorn, Bobby G. Sumpter, Donald W. Noid, Robert E. Tuzun,
and Chao Yang,
"Computational simulation of polymer particle structures: vibrational
normal modes using the time averaged
normal coordinate analysis method", *Polymer*
(in press).

1. Bobby G. Sumpter, Robert E. Tuzun, and Donald W. Noid,
"Computational simulation and modeling of polymeric materials", in
*Multidimensional Molecular Dynamics Methods*,
World Scientific Publishing Co., Inc. (1997).

2. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Recent advances in classical and quantum molecular simulation methods", in
*Molecular dynamics of clusters, surfaces, liquids, and interfaces*,
JAI Press (1999).

1. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Advances in molecular dynamics and nanotechnology",
*Mathematical Modeling and Scientific Computing*
(Mathematical Modeling and Scientific Computing in Science and
Technology, Proceedings of the 10th International Conference,
Boston, July, 1995; X. J. R. Avula and A. Nerode, editors) **6**, 337-342
(1995).

2. Donald W. Noid, Bobby G. Sumpter, and Robert E. Tuzun,
"Advancing manufacturing through computational chemistry",
*Proceedings of the Annual Technology 2005 Conference* (1995).

3. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Advancing manufacturing through computational chemistry",
*Proceedings of the Society of Plastics Engineers ANTEC '96 Conference*
**2**, 2183-2188 (1996).

4. Karl Sohlberg, Robert E. Tuzun, Bobby G. Sumpter, and Donald W. Noid,
"Computational nanotechnology using quaternion dynamics", in
*Molecular Nanotechnology: Biological Approaches and Novel Applications*
(Shelley A. Minden, editor), IBC, Southborough, MA (1997).

5. Robert E. Tuzun, Karl Sohlberg, Donald W. Noid, and Bobby G. Sumpter,
"The role of classical/quantum correspondence in nanomachine design", in
*Molecular Nanotechnology: Biological Approaches and Novel Applications*
(Shelley A. Minden, editor), IBC, Southborough, MA (1997).

6. Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, and
Joshua U. Otaigbe,
"Molecular dynamics simulations of polymer flow in nano-channels",
*Proc. ACS: Poly. Mat. Sci. Eng.* **76**, 585-586 (1997).

7. Robert E. Tuzun, Donald W. Noid, and Bobby G. Sumpter,
"Computer simulation of complex, strongly coupled nanometer-scale
systems: Breaking the billion atom barrier",
*Journal of Computers and Mathematics* **35**, 93-100 (1998)
(Ed: O. Yasar).

8. Robert E. Tuzun,
"Classical and quantum molecular simulation in nanotechnology applications",
in *Computational Studies, Nanotechnology, and Solution Thermodynamics
of Polymer Systems*, 1999 Southeastern Regional Meeting of the
American Chemical Society, Knoxville, TN, 151-158 (2001)
(Eds: M. D. Dadmun, W. A. VanHook, D. W. Noid, Y. B. Melnichenko, and
B. G. Sumpter).

9. Donald W. Noid, Robert E. Tuzun, and Bobby G. Sumpter,
"Shock and pressure wave propagation in nano-fluidic systems",
in *Computational Studies, Nanotechnology, and Solution Thermodynamics
of Polymer Systems*, 1999 Southeastern Regional Meeting of the
American Chemical Society, Knoxville, TN, 151-158 (2001)
(Eds: M. D. Dadmun, W. A. VanHook, D. W. Noid, Y. B. Melnichenko, and
B. G. Sumpter).