Publications:
1. "Extended Wavepacket Dynamics: Exact Solution for Collinear Atom, Diatomic Molecule Scattering," R. D. Coalson and M. Karplus, Chem. Phys. Lett. 90, 301 (1982).
2. "Generalized Quantum Liouville Equation: Its Solution by Wave Packet Dynamics," R. D. Coalson and M. Karplus, J. Chem. Phys. 79, 6150 (1983).
3. "Inclusion of Frequency Shifts in the Treatment of N-Photon Vibronic Processes Involving Uncoupled Harmonic Surfaces: A Simple and Exact Prescription," R. D. Coalson, J. Chem Phys. 81, 2794 (1984).
4. "New Sum Rules for Electronic Absorption Spectra," R. D. Coalson and M. Karplus, J. Chem. Phys. 81, 2891 (1984).
5. "On the Computation of two Surface Propagators via Coordinate Space Propagator Techniques," R. D. Coalson, J. Chem. Phys. 83, 688 (1985).
6. "A Partial Averaging Prescription for Fourier Path Integrals," J. D. Doll, R. D. Coalson, and D. L. Freeman, Phys. Rev. Lett. 55, 1 (1985).
7. "Fourier Path Integral Methods: A Model Study for Simple Fluids," D. L. Freeman, R. D. Coalson, and J. D. Doll, J. Stat. Phys. 43, 931 (1986).
8. "On the Connection Between Fourier Coefficient and Discretized Cartesian Path Integration," R. D. Coalson, J. Chem. Phys. 85, 926 (1986).
9. "Partial Averaging Approach to Fourier Coefficient Path Integration," R. D. Coalson, D. L. Freeman, and J. D. Doll, J. Chem. Phys., 85, 4567 (1986).
10. "Time Domain Formulation of Optical Spectroscopy Involving Three Potential Surfaces," R. D. Coalson and J. L. Kinsey, J. Chem. Phys., 85, 4322 (1986).
11. "Emission Spectroscopy of Photodissociating Molecules: A Collinear Model for CH3I and CD3I," R. L. Sundberg, D. Imre, M. O. Hale, J. L. Kinsey, and R. D. Coalson, J. Phys. Chem., 90, 5001 (1986).
12. "A Spin-Boson Model for Spectroscopy Involving Nonadiabatically Coupled Potential Energy Surfaces," R. D. Coalson, J. Chem. Phys., 86, 995 (1987).
13. "Time-Domain Formulation of Photofragmentation Involving Nonradiatively Coupled Excited States, and its Implementation via Wave Packet Perturbation Theory", R. D. Coalson, J. Chem. Phys., 86, 6823 (1987).
14. "Towards a Monte Carlo Theory of Quantum Dynamics", J. D. Doll, R. D. Coalson, and D. L. Freeman, J. Chem. Phys. 87, 1641 (1987).
15. "Dynamic Aspects of Electronic Excitation", M. V. Rama Krishna and R. D. Coalson, Chem. Phys., 120, 327 (1988).
16. "Time-Domain Theory for Computing Excited State Optical Lineshapes Induced by Nonradiative Coupling in the Single Bright State Approximation", R. D. Coalson, Chem. Phys. Lett. 147, 208 (1988).
17. "Time-Dependent Wavepacket Approach to Optical Spectroscopy Involving Nonadiabatically Coupled Potential Surfaces", R. D. Coalson, Adv. Chem. Phys. 73, 605 (1989).
18. "Time-Dependent Hartree Wavepacket Dynamical Techniques for Computation of Electronically Excited State Optical Spectra of Many-body Quantum Systems", M. Messina and R. D. Coalson, J. Chem. Phys., 90, 4015 (1989).
19. "Spectroscopic Spin-Boson Model in the Adiabatic Limit: Application to Optical Lineshapes", R. D. Coalson, Physical Review B, 39, 12052 (1989).
20. "Cumulant Methods and Short Time Propagators", R. D. Coalson and D. L. Freeman, and J. D. Doll, J. Chem. Phys., 91, 4242 (1989).
21. "Application of the Time Dependent Hartree Grid Method to Inelastic Molecular Scattering Problems", R. D. Coalson, Chem. Phys. Lett., 165, 443 (1990).
22. "Computation of Spectroscopic Observables for Condensed Phase Systems", M. Messina and R. D. Coalson, in Quantum Simulations of Condensed Matter, J. D. Doll and J. E. Gubernatis, Eds. pp. 203-227, (World Scientific, 1990).
23. "Extended Adiabatic Formalism for Computing Thermodynamic Properties of a Quantum System Coupled to a Nonadiabatic Bosonic Bath", R. D. Coalson, J. Chem. Phys., 92, 4993 (1990).
24. "Time-of-Flight Spectra of a Particle Scattering from a Collinear Harmonic Lattice at Finite Temperature", M. Messina and R. D. Coalson, J. Chem. Phys., 92, 5297 (1990).
25. "Reduced Partial Dissociation Cross Sections for a Molecule Photodesorbed from a Surface", M. Messina and R. D. Coalson, J. Chem. Phys. 92, 5712, (1990).
26. "Multidimensional Variational Gaussian Wavepacket Dynamics with Application to Photodissociation Spectroscopy", R. D. Coalson and M. Karplus, J. Chem. Phys., 93, 3919 (1990).
27. "Adding Configuration Interaction to the Time-dependent Hartree Grid Approximation", J. Campos-Martinez and R. D. Coalson, J. Chem. Phys., 93, 4740 (1990).
28. "Obtaining Long-time Dynamics in the Spectroscopic Spin-Boson Model via Path Integration", R. D. Coalson, J. Chem. Phys., 94, 1108 (1991).
29. "Application of a Coupled-Surface Time-Dependent Hartree Grid Method to Excited State Optical Spectroscopy", J. R. Waldeck, J. Campos-Martinez, and R. D. Coalson, J. Chem. Phys., 94, 2773 (1991).
30. "A Wavepacket Golden Rule Treatment of Vibrational Predissociation", P. Villarreal, S. Miret-Artes, O. Roncero, G. Delgado-Barrio, J. A. Beswick, N. Halberstadt, and R. D. Coalson, J. Chem. Phys., 94, 4230 (1991).
31. "Reduced Partial Cross Sections for UV Photodesorption of Molecules From Finite Temperature Surfaces", M. Messina and R. D. Coalson, J. Chem. Phys., 95, 5364 (1991).
32. "Time of Flight Spectra and Angular Observables for U.V. Photodesorption of Molecules from Surfaces", M. Messina and R. D. Coalson, J. Chem. Phys., 95, 8977 (1991).
33. "Beyond the Time-Dependent Hartree Grid Approximation for Curve-Crossing Problems", J. Campos-Martinez, J. R. Waldeck and R. D. Coalson, J. Chem. Phys., 96, 3613 (1992).
34. "Melting of Colloidal Crystals: A Monte Carlo Study", J. C. Zahorchak, R. Kesavamoorthy, R. D. Coalson, and S. A. Asher, J. Chem. Phys., 96, 6873 (1992).
35. "Using Relaxation Theory to Compute the Electronic Absorption Spectrum of a Chromophore Coupled to a Condensed Phase Environment", D. G. Evans and R. D. Coalson, J. Chem. Phys., 97, 5081 (1992).
36. "Systematic Ionic Screening Theory of Macroions", R. D. Coalson and A. Duncan, J. Chem. Phys., 97, 5653-61 (1992).
37. "Redfield Theory is Quantitative for Coupled Harmonic Oscillators," A. M. Walsh and R. D. Coalson, Chem. Phys. Lett., 198, 293 (1992).
38. "Relaxation Theory for Curve-Crossing Corrections to Electronic Absorption Line Shapes in Condensed Phases", D. G. Evans and R. D. Coalson, J. Chem. Phys. 99, 6264 (1993).
39. "Application of the TDHG-CI Method to the Desorption of Diatomic Molecules from Solid Surfaces", J. Campos-Martinez and R. D. Coalson, J. Chem. Phys. 99, 9629 (1993).
40. "Lattice Field Theory for Spherical Macroions in Solution: Calculation of Equilibrium Pair Correlation Functions", A. M. Walsh and R. D. Coalson, J. Chem. Phys. 100, 1559-66 (1994).
41. "System-Bath Relaxation Theory Approach to Curve-Crossing Effects on Condensed Phase Electronic Absorption Spectra", D. G. Evans and R. D. Coalson, J. Chem. Phys. 100, 5605 (1994).
42. "Life-times of Selective Adsorption Resonances in Atom-Surface Elastic Scattering", M. I. Hernandez, J. Campos-Martinez, S. Miret-Artes and R. D. Coalson, Phys. Rev. B. 49, 8300 (1994).
43. A Nonequilibrium Golden Role Formula for Electronic State Populations in Nonadiabatically Coupled Systems", R. D. Coalson, D. G. Evans and A. Nitzan, J. Chem. Phys. 101, 436 (1994).
44. "Computing the Eigenmodes of Lossy Field-Induced Optical Waveguides", R. D. Coalson, D. K. Pant, A. Ali and D. W. Langer, J. Lightwave Technology, 12, 1015 (1994).
45. "Dielectric Constant Effects on the Energetics of Oppositely Charged Colloids. A Lattice Field Theory Study", N. Ben-Tal and R. D. Coalson, J. Chem. Phys., 101, 5148 (1994).
46. "Statistical Mechanics of a Coulomb Gas with Finite Size Particles: A Lattice Field Theory Approach", R. D. Coalson, A. M. Walsh, A. Duncan and N. Ben-Tal, J. Chem. Phys., 102, 4584-94 (1995).
47. "Incorporating Backflow into a Relaxation Theory Treatment of the Dynamics of Nonequilibrium Nonadiabatic Transition Process", D. G. Evans and R. D. Coalson, J. Chem. Phys., 102, 5658-68 (1995).
48. "Manipulating Reactant-Product Distributions in Electron Transfer Reactions with a Laser Field", R. D. Coalson and Y. Dakhnovskii, J. Chem. Phys., 103, 2908-16 (1995).
49. "The Effect of a Laser Field on Electron Transfer in Metal Complexes: Quantum Degrees of Freedom", Y. Dakhnovskii, D. G. Evans, H. J. Kim and R. D. Coalson, J. Chem. Phys., 103, 5461-69 (1995).
50. "Inducing Coherent Oscillations in the Electron Transfer Dynamics of a Strongly Dissipative System with Pulsed Monochromatic Light", D. G. Evans, R. D. Coalson, H. J. Kim and Y. Dakhnovskii, Phys. Rev. Lett., 75, 3649-52 (1995).
51. "Induced Oscillations in an Electron Transfer Reaction in the Presence of a Bichromatic Electromagnetic Field", D. G. Evans, R. D. Coalson and Y. Dakhnovskii, J. Chem. Phys., 104, 2287-96 (1996).
52. “Simulation of Electron Transfer in Polar Solvents: Effects of Nonequilibrium Initial State Preparation@, D. G. Evans and R. D. Coalson, J. Chem. Phys., 104, 3598-3608 (1996).
53. "Statistical Mechanics of a Multipolar Gas: A Lattice Field Theory Approach", R. D. Coalson and A. Duncan, J. Phys. Chem., 100, 2612-20 (1996).
54. “A Wavepacket-Path Integral Method for Curve Crossing Dynamics@, R. D. Coalson, J. Phys. Chem. 100, 7896-7902 (1996).
55. "A Molecular Dynamics Study of Dielectric Friction", M. G. Kurnikova, D. H. Waldeck and R. D. Coalson, J. Chem. Phys., 105, 628-38 (1996).
56. "Laser Control of Polar Electron Transfer Dynamics", R. D. Coalson, D. G. Evans and Y. Dakhnovskii, in Femtochemistry: Ultrafast Chemical and Physical Processes in Molecular Systems, M. Chergui, Ed., pp. 338-47 (World Scientific, 1996).
57. "Nonadiabatic Dynamics and Electronic Energy Relaxation of Cl(2P) Atoms in Solid Ar", A. I. Krylov, R. B. Gerber and R. D. Coalson, J. Chem. Phys., 105, 4626-35 (1996).
58. “Light Absorption in Strongly Irradiated Long Range Polar Electron Transfer Systems@, Y. Dakhnovskii, V. Lubchenko and R. D. Coalson, Phys. Rev. Lett., 77, 2917-20 (1996).
59. "Multiphoton Absorption by Metal-Metal Long Distance Charge Transfer Complexes in Polar Solvents", Y. Dakhnovskii, V. Lubchenko and R. D. Coalson, J. Chem. Phys., 105, 9441-53 (1996).
60. "A Molecular Dynamics Study of Photothermal Compression of Colloidal Crystals", J. C. Zahorchak, M. G. Kurnikova and R. D. Coalson, J. Chem. Phys., 106, 1585-92 (1997).
61. "A Wavepacket-Path Integral Method for Curve-crossing Problems: Application to Resonance Raman Spectra and Photodissociation Cross Sections", A. E. Cárdenas and R. D. Coalson, Chem. Phys. Lett., 265, 71-76 (1997).
62. "Design and Analysis of Wide-Angle Y-Branch Waveguide with Low-Losses for Integrated Optics", D-S Min, D. W. Langer, D. K. Pant, and R. D. Coalson, SPIE Proceedings, 3006, 459 (1997).
63. "Wide-Angle Low-Loss Waveguide Branching for Integrated Optics", D. S. Min, D. W. Langer, D. K. Pant, and R. D. Coalson, Fiber and Integrated Optics, 16, 331-42 (1997).
64. "Optimal Control Theory for the Design of Optical Waveguides", D. K. Pant, R. D. Coalson, M. I. Hernández and J. Campos-Martínez, J. Lightwave Technology, 16, 292-300 (1998).
65. "Numerical Methods for Solving Poisson and Poisson-Boltzmann Type Equations", R. D. Coalson and T. L. Beck, Encyclopedia of Computational Chemistry (Wiley), P. von Rague Schleyer, ed., Vol. 3, pp. 2086-2100 (1998).
66. "Rotational Relaxation in Polar Solvents. Molecular Dynamics Study of Solute—Solvent Interaction", M. G. Kurnikova, N. Balabai, D. H. Waldeck, and R. D. Coalson, J. Am. Chem. Soc. 120, 6121-30 (1998).
67. “Long-Range Electron Transfer Driven by Two Lasers: Induced Irradiance”, Y. Dakhnovskii, V. Lubchenko and R. D. Coalson, J. Chem. Phys., 109, 691-703 (1998).
68. "Rotational Diffusion of Organic Solutes: The Role of Dielectric Friction in Polar Solvents and Electrolyte Solutions", N. Balabai, A. Sukharevsky, I. Read, B. Straszisar, M. Kurnikova, R. S. Hartman, D. H. Waldeck and R. D. Coalson, Journal of Molecular Liquids, 77, 37-60(1998).
69. "Rotational Relaxation of Ionic Molecules in Electrolyte Solutions: Anisotropy Relaxation and Molecular Dynamics Study", J. Am. Chem. Soc., 120, 7944-51 (1998).
70. "A Lattice Relaxation Algorithm for 3D Poisson-Nernst-Planck Theory with Application to Ion Transport Through the Gramicidin A Channel", M. Kurnikova, R. D. Coalson, P. Graf and A. Nitzan, Biophysical J. 76, 642-56 (1999).
71. "Entropic Trapping of a Flexible Polymer in a Fixed Network of Random Obstacles", Shyh-Shi Chern and R. D. Coalson, Journal of Chemical Physics, 111, 1778-81 (1999).
72. "Optimal Control Theory for Optical Waveguide Design: Application to Y-branch Structures", D. K. Pant, R. D. Coalson, M. I. Hernández and J. Campos-Martinez, Applied Optics, 38, 3917-23 (1999).
73. "Calculation of Reduced Partial Cross Sections of Molecules Photodesorbing from a Cold Crystal Surface with Internal Vibrations: Inclusion of Curve-Crossing Effects", A. E. Cárdenas and R. D. Coalson, Journal of Chemical Physics, 110, 11542-50 (1999).
74. "Statistical Mechanics of Charged Polymers in Electrolyte Solutions: A Lattice Field Theory Approach", S. Tsonchev, R. D. Coalson, and A. Duncan, Physical Review E, 60, 4257-67 (1999).
75. "Semiclassical Wave Packet Dynamics with Electronic Structure Computed on the Fly: Application to Photophysics of Electronic Excited States in Condensed Phase", A. E. Cárdenas, R. Krems, and R. D. Coalson, Journal of Physical Chemistry A, 103, 9469-74 (1999).
76. Hua Yang, Jennifer L. Peters, Cassandra Allen, Shyh-Shi Chern, Rob D. Coalson, and Adrian C. Michael, "A Theoretical Description of Microdialysis with Mass Transport Coupled to Chemical Events", Anal. Chem. 72, 2042-2049 (2000).
77. A. E. Cárdenas, R. D. Coalson and M. G. Kurnikova, "3D Poisson-Nernst-Planck Theory Studies: Influence of Membrane Electrostatics on Gramicidin A Channel Conductance", Biophys. J. 79, 80-93 (2000).
78. S. Tsonchev, R. D. Coalson and A. Duncan, "Partitioning of a Polymer Chain Between Two Confining Cavities: The Role of Electrostatic Interactions", Phys. Rev. E, 62, 799-806 (2000).
79. S. Tsonchev and R. D. Coalson, 'Partitioning of a Polymer Chain Between Two Confining Cavities: The Roles of Excluded Volume and Finite Size Conduits", Chem. Phys. Lett., 327, 238-244 (2000).
80. S. Tsonchev, R. D. Coalson, Shyh-Shi Chern and A. Duncan, "On the Reliability of Mean-Field Methods in Polymer Statistical Mechanics", Journal of Chemical Physics, 113, 8381-8389 (2000).
81. P. Graf, A. Nitzan, M. G. Kurnikova and R. D. Coalson, "A Dynamic Lattice Monte Carlo Model of Ion Transport in Inhomogeneous Dielectric Environments: Method and Implementation", Journal of Physical Chemistry B, 104, 12324-12338 (2000).
82. S-S. Chern, A. E. Cárdenas, and R. D. Coalson, "3D Dynamic Monte Carlo Simulations of Driven Polymer Transport Through a Hole in a Wall", J. Chem. Phys., 115, 7772-7773 (2001).
83. J.T. York, R.D. Coalson and Y. Dahnovsky, “Control of Electron Current by Double-Barrier Structures using Pulsed Laser Fields”, Phys. Rev. B 65, 235321 (2002).
84. A.Tikhonov, R.D. Coalson and Y. Dahnovsky, “Calculating Electron Transport in a Tight-Binding Model of a Field-Driven Molecular Wire: Floquet Theory Approach”, J. Chem. Phys. 116, 10909-10920 (2002).
85. A.Tikhonov, R.D. Coalson and Y. Dahnovksy, “Calculating Electron Current in a Tight-Binding Model of a Field-Driven Molecular Wire: Application to Xylyl-dithiol”, J. Chem. Phys. 117, 567-580 (2002).
86. A. Mamonov, R.D. Coalson, A. Nitzan and M.G. Kurnikova, “The Role of the Dielectric Barrier in Narrow Biological Channels: a Novel Composite Approach to Modeling Single Channel Currents, Biophys. J. 84, 3646-3661 (2003).
87. J. Campos-Martinez and R.D. Coalson, “The Wide-Angle Equation and its Solution through the Short Time Iterative Lanczos Method”, Applied Optics 42, 1732-1742 (2003).
88. R.D. Coalson and D.G. Evans, “Condensed Phase Vibrational Relaxation: Calibration of Approximate Relaxation Theories with Analytical and Numerically Exact Results”, Chem. Phys. 296, 117-127 (2004).
89.P. Graf, M.G. Kurnikova, R.D. Coalson and A. Nitzan, “Comparison of Dynamic Lattice Monte-Carlo Simulations and Dielectric Self Energy Poisson-Nernst-Planck Continuum Theory for Model Ion Channels”, J. Phys. Chem. B 108, 2006-2015 (2004).
90. S.A. Asher, J.M. Weissman, A. Tikhonov, R.D. Coalson and R. Kesvamoorthy, “Crystalline Colloidal Array Photonic Crystal Diffraction”, Phys. Rev. E 69, 066619:1-14 (2004).
91. S. Tsonchev, R.D. Coalson, A. Liu and T.L. Beck, “Flexible Polyelectrolyte Simulations at the Poisson-Boltzmann Level: a Comparison of the Kink-Jump and Multigrid Configurational-Bias Monte Carlo Methods”, J. Chem. Phys. 120, 9817-9821 (2004).
92. M. H. Cheng, "Theoretical studies of the M2 transmembrane segment of the glycine receptor: models of the open pore structure and current-voltage characteristics", Biophys J 89:1669-80 (2005)
93. R.D. Coalson, "Poisson-Nernst-Planck theory approach to the calculation of current through biological ion channels"
IEEE Trans Nanobioscience 4:81-93 (2005).
94. R. Munshi, "An introduction to simulation and visualization of biological systems at multiple scales: a summer training program for interdisciplinary research", Biotechnol Prog 22:179-85 (2006).
95. A.B. Mamonov, "Diffusion constant of K+ inside Gramicidin A: a comparative study of four computational methods"
Biophys Chem 124:268-78 (2006).
96. M. H. Cheng, "Homology modeling and molecular dynamics simulations of the alpha1 glycine receptor reveals different states of the channel", Proteins 68:581-93 (2007).
97. M. H. Cheng, " Modeling the fast gating mechanism in the ClC-0 chloride channel", J Phys Chem B 111:5956-65
(2007).
98. A. B. Mamanov, "Water and deuterium oxide permeability through aquaporin 1: MD predictions and experimental verification", J Gen Physiol 130:111-6 (2007).
99. S. G. Essiz, R. D. Coalson, “Langevin dynamics of molecules with internal rigid fragments in the harmonic regime", J. Chem. Phys. 127, 104109 (2007).
100. S. Tsonechev, R. D. Coalson, A. Duncan, “Partitioning of a polymer chain between a confining cavity and a gel ”, Phys. Rev. E, 76, 041804 (2007).
101. Cheng MH, Coalson RD, Cascio M, “Molecular dynamics simulations of ethanol binding to the transmembrane domain of the glycine receptor: Implications for the channel potentiation mechanism ,” , PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS, 972 (2008).
102. Cheng MH, Coalson RD, Cascio M, Kurnikova M,“Computational prediction of ion permeation characteristics in the glycine receptor modified by photo-sensitive compounds,” J. Comp-Aided Mol. Des., 22, 563 (2008).
103. Tikhonov A, Coalson RD, Asher SA, “Light diffraction from colloidal crystals with low dielectric constant modulation: Simulations using single-scattering theory,” Phys. Rev. B, 77, 235404 (2008).
104. Haddadian EJ, Cheng MHY, Coalson RD, Xu Y, Tang P, “In Silico Models for the Human alpha 4 beta 2 Nicotinic Acetylcholine Receptor,” J. Phys. Chem. B, 112, 13981 (2008).
105. Yu ASL, Cheng MH, Angelow S, Gunzel D, Kansawa SA, Schneeberger EE, Fromm M, Coalson RD, “Molecular Basis for Cation Selectivity in Claudin-2-based Paracellular Pores: Identification of an Electrostatic Interaction Site ,” J. Gen. Phys., 133, 111 (2009).
106. Essiz SG, Coalson RD, “Dynamic Linear Response Theory for Conformational Relaxation of Proteins,” J. Phys. Chem. B, 113, 10859 (2009).
107. Cook WR, Coalson RD, Evans DG, “Effectiveness of Perturbation Theory Approaches for Computing Non-Condon Electron Transfer Dynamics in Condensed Phases,” J. Phys. Chem. B, 113, 11437 (2009).
108. Coalson RD, “Discrete-state model of coupled ion permeation and fast gating in ClC chloride channels,” J. Phys. A, 41, 115001 (2009).
109. Choudhary OP, Ujwal R, Kowallis W, Coalson R, Abramson J, Grabe M, “The Electrostatics of VDAC: Implications for Selectivity and Gating,” J. Mol. Bio., 396, 580 (2010).
110. Coalson RD, Cheng MH, “Discrete-State Representation of Ion Permeation Coupled to Fast Gating in a Model of ClC Chloride Channels: Comparison to Multi-ion Continuous Space Brownian Dynamics Simulations ,” J. Phys. Chem. B, 114, 1424 (2010).
