Havel - Other Activities

Other Publications:

  1. "The DISGEO program" by T.F. Havel, Quantum Chemistry Program Exchange, no. 507, Chemistry Dept., Univ. of Indiana, IN 47405 (1985).

  2. Distance Geometry and Molecular Conformation by G.M. Crippen and T.F. Havel (520 pages), Research Studies Press, Taunton, England (1988); distributed in the USA by J. Wiley & Sons.

  3. "The precision of protein structures determined from NMR data: Reality or illusion?" by T.F. Havel in Proteins: Structure, Dynamics, Design (ed. V. Renugopalakrishnan, P.R. Carey, I.C.P. Smith, S.-G. Huang and A.C. Storer), ESCOM Sci. Pub. B.V. (1991).

  4. "NMR structure determination in solution: A critique and comparison with x-ray crystallography" by G. Wagner, S. Hyberts and T.F. Havel, Ann. Rev. Biophys. Biomol. Struct. 21:167-198 (1992).

  5. "Geometric algebra and Möbius sphere geometry as a basis for Euclidean invariant theory" by T. F. Havel, pp. 223-244 in Invariant Methods in Discrete and Computational Geometry (edited by N. White, G.-C. Rota and B. Sturmfels), Kluwer (1995).

  6. "Distance geometry" by T.F. Havel, invited contribution to the Encyclopedia of NMR (eds. D.M. Grant & R.K. Harris), pp. 1701-1710, J. Wiley & Sons, New York, NY (1996).

  7. "Nuclear magnetic resonance spectroscopy: An experimentally accessible paradigm for quantum computing" by D.G. Cory, A.F. Fahmy and T.F. Havel, in Proceedings of the Fourth Workshop on Physics and Computation, pp. 87-91, published by the New England Complex Systems Institute (1996).

  8. "Ensemble quantum computing by NMR spectroscopy: Product operators, pseudo-pure states, and an implementation of quantum error correction" by T.F. Havel, S.S. Somaroo and D.G. Cory, Proc. SPIE Symp. Defense & Security, vol. 3385, Photonic Quantum Computing II, pp. 72-83 (1998).

  9. "Distance geometry: Theory, algorithms and chemical applications" by T.F. Havel, invited contribution to the Encyclopedia of Computational Chemistry (eds. P. von Ragué Schleyer, P.R. Schreiner, N.L. Allinger, T. Clark, J. Gasteiger, P.A. Kollman & H.F. Schaefer III), pp. 723-741, J. Wiley & Sons, New York NY (1998).

  10. "Observations of quantum dynamics by solution-state NMR spectroscopy" by M. Pravia, E. Fortunato, Y. Weinstein, M.D. Price, G. Teklemariam, R.J. Nelson, Y. Sharf, S.S. Somaroo, C.-H. Tseng, T.F. Havel and D.G. Cory, Concepts in Magnetic Resonance, 11:225-238 (1999).

  11. "The role of tensegrity in distance geometry" by T.F. Havel, in Fundamental Materials Research Series (eds. M.F. Thorpe & P.F. Duxbury), Kluwer Acad. / Plenum Pub. Co., pp. 55 - 68 (1999).

  12. "Qubit logic, algebra and geometry" by T.F. Havel, in Automated Deduction in Geometry Lect. Notes. Artif. Intellig. 2061:228-245 (Springer-Verlag, Heidelberg-London-New York, 2001).

  13. "Geometric algebra in quantum information processing" by T.F. Havel and C.J.L. Doran, in Quantum Information and Computation (S.J. Lomonaco, Jr. and H.E. Brandt, eds.) Contemporary Math. 305:81-100 (Am. Math. Soc., Providence RI, 2002).

  14. "Interaction and entanglement in the multiparticle space-time algebra" by T.F. Havel and C.J.L. Doran, pp. 227-247 in Applications of Geometric Algebra in Computer Science and Engineering (L. Dorst, C. Doran and J. Lasenby, eds.; Birkhauser, Boston MA, 2002).

  15. "Introduction to NMR quantum information processing" by Laflamme, E. Knill, D.G. Cory, E.M. Fortunato, T.F. Havel, C. Miquel, R. Martinez, C. Negrevergne, G. Ortiz, M.A. Pravia, Y. Sharf, S. Sinha, R. Somma and L. Viola, Los Alamos Science 27:2-37 (2002).

  16. "Density operators in the multiparticle space-time algebra" by T.F. Havel, C.J.L. Doran and S. Furuta, in Proceedings of the IMA Conference on Applications of Geometric Algebra (J. Lasenby, C. Doran and A. Lasenby, & T.F. Havel, eds.), Proc. R. Soc. Lond. A in press (2003).

  17. "Metric matrix embedding in protein stucture calculations, NMR spectra analysis, and relaxation theory" by T.F. Havel, Magn. Reson. Chem. 41:S37-S50 (2003).

  18. "A Bloch-sphere-type model for two qubits in the geometric algebra of a 6-D Euclidean vector space" by T.F. Havel and C.J.L. Doran, Proc. SPIE Symp. Defense & Security (2004).

  19. "Adsorption-enhanced compressed air energy storage" by T.F. Havel, Electrical Energy Storage Applications and Technology (2009); available on-line from http://www.sandia.gov/EESAT.
  20. "Adsorption-enhanced compressed air energy storage" by T.F. Havel, Technical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011, 1, 759-762 (2011).
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Products:

I have contributed both expertise and software to the development of the following products, all of which are currently being marketed by Accelrys, Inc., of San Diego, California:

The SKETCHER : Program for converting two-dimensional molecular diagram into three-dimensional molecular structure.

The CONVERTER : Program for converting database of chemical connectivity tables into database of three-dimensional structures.

NMRchitect : Program for the determination of three-dimensional molecular structure from NMR data.

CONSENSUS : Program for the prediction of protein structure from sequence alignments with homologues of known structure.