Publications:
K.M. Flurchick and Warren Perger, "DFT Functional Comparison for Organic Molecular Solids," J Chem Physics, in preparation.
K.M. Flurchick, "A View of DFT Functional Differences," Journal of Molecular Graphics, (submitted, 2006).
W.F. Perger, S. Vutukuri, Z.A. Dreger, Y.M. Gupta and Ken Flurchick "First- Principles Vibrational Studies of Penta erythritol Crystal under Hydrostatic Pressure," Chemical Physics Letters (accepted, 2006).
K.M. Flurchick, "DFT Functionals and Molecular Geometries," Chemical Physics Letters (2006).
K.M. Flurchick, CllTR technical report #02262004, S1M: An AVSlExpress Applicationfor Viewing Molecules and Solids, (2004).
K.M. Flurchick and Roger Jones, CllTR technical report #02272004, A VS/Express Application: CLYDE, (2004).
K.M. Flurchick, A VS/Express Workbook for REVIT ALISE, (2004).
W. F. Perger, G. F. Willard Ill, M. I. Bhatti, and K. Flurchick, The numerical evaluation of the transition matrix elements and energies using many-body perturbation theory, Bulletin of the American Physical Society, vol. 46, No.3, pg. 89, (May 2001).
W. F. Perger and Min Xia and Ken Flurchick and M. Idrees Bhatti, Integrating Symbolic and Numeric Techniques in Atomic Physics, Computing in Science and Engineering, pages 38-47, vol. 3, No. 1, (2001).
Ken Flurchick, Margaret Hurley, Jan K. Labanowski, Gerald H. Lushington and Theresa L. Windus, "Chemistry and the Internet," Computational Chemistry: Review of Current Trends, vol. 3, Jerzy Leszczynski, Ed., World Scientific, Singapore, (1998).
Warren F. Perger, Min Xia, Ken Flurchick, and M. Idrees Bhatti, "Symbolic generation of the atomic many-body perturbation theory energy formulas for the 2-particle, O-hole case," Atomic Data and Nuclear Data Tables, submitted. M. S. C. Reed and K. M. Flurchick, "Investigations of Artifacts Due to Periodic Boundary Conditions," Computer Physics Communications, 95, 39, (1996).
Lee Bartolotti and K.M. Flurchick, "An Introduction to Density Functional Theory," Computational Chemistry Volume 8, VCH Publishers, NY, pp187-216, 1995. K.M. Flurchick and Lee Bartolotti, "Visualizing Properties of Atomic and Molecular Systems,” Journal of Molecular Graphics, 13, 10, (1995).
Mark S.C. Reed and K.M. Flurchick, "Hybrid Molecular Dynamics: An Approach to Low Density Simulations," Computer Physics Communications 81, 56, (1994).
John A. Patten, K. Flurchick, Joe Beeler and John Strenkowski, "Molecular Dynamics Simulation of the Precision Machining Process Including Radiative and Conductive Heat Transfer Mechanisms," Modeling and Simulation in Material Science and Engineering 2, 223, (1994).
J-H Lii, S. Gallion, C. Bender, H. Wikstrom, N. L. Allinger, K. Flurchick and M. M. Teeter, “Molecular Mechanics (MM2) Calculations On Peptides And On The Protein Crambin Using The CYBER205." J. Comp. Chem., 10, 503, (1989).
K. Flurchick and R. D. Etters, "Simulations of Oxygen Monolayers and Bilayers," D.P. Landau and H.B. Schuttler (eds.), Computer Simulation Studies in Condensed Matter Physics: Recent Developments, Springer proceedings in physics 33, Springer-Verlag New York, (1989).
L. R. Schmitz, N. L. Allinger and K. Flurchick, "Stepwise Heats of Hydrogenation of Barrelene, an ab initio study," J. Comp. Chem., 9, 281-287, (1988).
K. Flurchick, "Oxygen Molecules Adsorbed on Graphite and Free Radical Propulsion," Ph.D. thesis, (1987).
K. Flurchick and R. D. Etters, "Epitaxial Orientations of Oxygen Monolayers on Graphite by Superlattice Formation," J. Chem. Phys., 84, 4657, (1986).
K. Flurchick and R. D .Etters, "An Atomic Hydrogen Propulsion System," AIM Journal, 23, 981, (1985).
R. B. Culver and K. Flurchick, "Instructor's Manual for an Introduction to Experimental Astronomy," (1984).
R. D. Etters, K. Flurchick, R. P Pan and V. Chandrasekharan, "Thermodynamic Properties and Phase Transitions in CO2 Molecular Clusters," J. Chem. Phys., 75, 929, (1981).
