Publications by Dr. Robert E. Tuzun


Refereed journal articles

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/C60 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 H2+", 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).

Book chapters

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).

Conference proceedings

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).