- "Stable calculation
of coordinates from distance information" by G.M.
Crippen and T.F. Havel,
__Acta Cryst.__**A34:282-284**(1978). - "Effects of distance
constraints on macromolecular conformation. II. Simulation of
experimental results and theoretical predictions" by T.F. Havel, G.M.
Crippen and I.D. Kuntz,
__Biopolymers__**18:73-81**(1979). - "A distance geometry
study of ring systems: Application to cyclooctane, 18-crown-6,
cyclododecane and androstanedione" by P. Weiner, S. Profeta, G. Wipff,
T.F. Havel, I.D. Kuntz, R. Langeridge and P. Kolmann,
__Tetrahedron__**39:1113-1121**(1983). - "The theory and
practice of distance geometry" by T.F. Havel, I.D. Kuntz and G.M.
Crippen,
__Bull. Math. Biol.__**45:665-720**(1983). - "The combinatorial
distance geometry approach to the calculation of molecular
conformation. I. A new approach to an old problem" by T.F. Havel, I.D.
Kuntz and G.M. Crippen,
__J. Theor. Biol.__**104:359-381**(1983). - "The combinatorial
distance geometry approach to the calculation of molecular
conformation. II. Sample problems and computational statistics" by T.F.
Havel, I.D. Kuntz and G.M. Crippen,
__J. Theor. Biol.__**104:383-400**(1983). - "A distance geometry
program for determining the structures of small proteins and other
macromolecules from nuclear magnetic resonance measurements of
^{1}H-^{1}H proximities in solution" by T.F. Havel and K. Wüthrich,__Bull. Math. Biol.__**46:673-698**(1984). - "An evaluation of the
combined use of nuclear magnetic resonance and distance geometry for
the determination of protein conformation in solution" by T.F. Havel
and K. Wüthrich,
__J. Mol. Biol.__**182:281-294**(1985). - "Tertiary structure
of the proteinase inhibitor IIA from bull seminal plasma" by M.P.
Williamson, T.F. Havel and K. Wüthrich,
__J. Mol. Biol.__**182:295-315**(1985). - "Some combinatorial
properties of discriminants in metric vector spaces" by A. Dress and
T.F. Havel,
__Adv. Math.__**62:285-312**(1986). - "The ellipsoid
algorithm as a method for the determination of polypeptide
conformations from experimental distance constraints and energy
minimization" by M. Billeter, T.F. Havel, K. Wüthrich,
__J. Comput. Chem.__**8:132-141**(1986). - "A new approach to
the problem of docking two molecules: The ellipsoid algorithm" by M.
Billeter, T.F. Havel, I.D. Kuntz,
__Biopolymers__**26:777-793**(1987). - "Protein structures
in solution by nuclear magnetic resonance and distance geometry. The
polypeptide fold of the basic pancreatic trypsin inhibitor determined
using two different algorithms, DISGEO and DISMAN" by G. Wagner, W.
Braun, T.F. Havel, T. Schaumann, N. Gô; and K. Wüthrich,
__J. Mol. Biol.__**196:611-639**(1987). - "Three-dimensional
solution structure of plastocyanin from the green algae Scenedesmus
obliquus" by J.M. Moore, D.A. Case, W.J. Chazin, G.P. Gippert, T.F.
Havel, R. Powls, and P.E. Wright,
__Science__**240:314-317**(1988). - "Shortest-path
problems and molecular conformation" by A. Dress and T.F. Havel,
__Disc. Appl. Math.__**19:129-144**(1988). - "Computational
experience with an algorithm for tetrangle inequality bound smoothing"
by P.L. Easthope and T.F. Havel,
__Bull. Math. Biol.__**51:173-194**(1988). - "Criteria for the
global consistency of two-threshold preference relations in terms of
forbidden subconfigurations" by A. Dress and T.F. Havel,
__Adv. Appl. Math.__**10:379-395**(1989). - "The sampling
properties of some distance geometry algorithms applied to
unconstrained polypeptide chains: A study of 1830 independently
computed conformations" by T.F. Havel,
__Biopolymers__**29:1565-1585**(1990). - "Global energy
minimization by rotational energy embedding" by G.M.Crippen and T.F.
Havel,
__J. Chem. Inform. Sci.__**30:222-227**(1990). - "A new method for
building protein conformations from sequence alignments with homologues
of known structure" by T.F. Havel and M.E. Snow,
__J. Mol. Biol.__**217:1-7**(1991). - "Alternating zinc
fingers in the human male-associated protein ZFY: 2D-NMR structure of
an even finger and implications for "jumping-linker" DNA recognition"
by M. Kochoyan, T.F. Havel, D.T. Nguyen, C.E. Dahl, H.T. Keutmann and
M.A. Weiss.
__Biochemistry__**30:3371-3386**(1991). - "An evaluation of
computational strategies for use in the determination of protein
structure from distance constraints obtained by NMR spectroscopy" by
T.F. Havel,
__Prog. Biophys. molec. Biol.__**56:43-78**(1991). - "Some examples of the
use of distances as coordinates for Euclidean geometry" by T.F. Havel,
__J. Symbolic Comput.__**11:579-593**(1991). - "Bound smoothing
under chirality constraints" by A.W.M. Dress and T.F. Havel,
__SIAM J. Disc. Math.__**4:535-549**(1991). - "Δ-matroids and
metroids" by A. Bouchet, A.W.M. Dress and T.F. Havel,
__Adv. Math.__**91:136-142**(1992). - "A high-resolution
solution structure of eglin c based on measurements of many NOEs and
coupling constants" by S.G. Hyberts, M.S. Goldberg, T.F. Havel and G.
Wagner,
__Protein Sci.__**1:736-751**(1992). - "A least-squares
approach to the evaluation of protein structures computed from NMR
data" by J.-X. Yang and T.F. Havel,
__J. Biomol. NMR__**3:355-360**(1993). - "Predicting the
structure of the flavodoxin from E.coli by homology modeling, distance
geometry and molecular dynamics" by T.F. Havel,
__Molec. Simul.__**10:175-210**(1993). - "Distance geometry
and geometric algebra" by A.W.M. Dress and T.F. Havel,
__Foundations of Physics__**23:1357-1374**(1993). - "Applications of
geometric algebra to the theory of molecular conformation. I. The
optimum alignment problem" by T.F. Havel and I. Najfeld,
__TheoChem__**308:241-262**(1994). - "Matrix
decompositions of two-dimensional nuclear magnetic resonance spectra"
by T.F. Havel, I. Najfeld and J.-X. Yang,
__Proc. Natl. Acad. Sci. USA__**91:7962-7966**(1994). - "Does compactness
induce secondary structure in proteins? A study of poly-alanine chains
computed by distance geometry" by D.P. Yee, H.S. Chan, T.F. Havel and
K.A. Dill,
__J. Mol. Biol.__**241:557-573**(1994). - "An evaluation of
least-squares fits to COSY spectra as a means of estimating scalar
coupling constants. Part I. Simulated test problems" by J.-X. Yang and
T.F. Havel,
__J. Biomol. NMR__**4:807-826**(1994). - "An evaluation of
least-squares fits to COSY spectra as a means of estimating scalar
coupling constants. Part II. Application to polypeptides" by J.-X.
Yang, P. Schmieder, A. Krezel, G. Wagner and T.F. Havel,
__J. Biomol. NMR__**4:827-844**(1994). - "Applications of geometric algebra to the theory of molecular conformation. II. The local deformation problem" by T.F. Havel and I. Najfeld, TheoChem 336:175-189 (1995).
- "Derivatives of the
matrix exponential and their computation" by I. Najfeld and T.F. Havel,
__Adv. Appl. Math.__**16:321-375**(1995). - "A new system of
equations, based on geometric algebra, for ring closure in cyclic
molecules" by T.F. Havel and I. Najfeld, in
*Computer Algebra in Science and Engineering*(edited by J. Fleischer, J. Grabmeier, W. Hehl & W. Küchlin), pp. 243-259, World Scientific (1995). - "A robust method for
estimating cross-relaxation rates from simultaneous fits to build-up
and decay curves" by I. Najfeld, K.T. Dayie, T.F Havel and G. Wagner,
__J. Magn. Reson.__**124:372-382**(1997). - "Ensemble quantum
computing by NMR spectroscopy" by D.G. Cory, A.F. Fahmy and T.F. Havel,
__Proc. Natl. Acad. Sci.__**94:1634-1639**(1997). - "Embedding with a
rigid substructure" by I. Najfeld and T.F. Havel,
__J. Math. Chem.__**21:223-260**(1997). - "Recent advances in
molecular distance geometry" by T.F. Havel, S.G. Hyberts and I.
Najfeld, in
*Bioinformatics*(eds. R. Hofestädt, T. Lengauer, M. Löffler & D. Schomburg),__Lect. Notes in Comput. Sci.__**1278:62-71**, Springer-Verlag (1997). - "Computational
synthetic geometry with Clifford algebra" by T.F. Havel, in
*Automated Deduction in Geometry*(ed. Dongming Wang),__Lect. Notes Artif. Intel.__**1360:102-114**, Springer-Verlag (1997). - "Expressing the
operations of quantum computing in multiparticle geometric algebra" by
S.S. Somaroo, D.G. Cory and T.F. Havel,
__Phys. Lett. A__**240:1-7**(1998). - "Nuclear magnetic
resonance spectroscopy: An experimentally accessible paradigm for
quantum computing" by D.G. Cory, M.D. Price and T.F. Havel,
__Physica D__**120:82-101**(1998). - "Experimental quantum
error correction" by D.G. Cory, W. Mass, M. Price, E. Knill, R.
Laflamme, W.H. Zurek, T.F. Havel and S.S. Somaroo,
__Phys. Rev. Lett.__**81:2152-2155**(1998). - "Quantum simulations
on a quantum computer" by S.S. Somaroo, C.-H. Tseng, T.F. Havel, R.
Laflamme and D.G. Cory,
__Phys. Rev. Lett.__**82:5381-5384**(1999). - "Construction and
implementation of NMR quantum logic gates for two-spin systems" by M.D.
Price, S.S. Somaroo, C.-H. Tseng, J.C. Gore, A.F. Fahmy, T.F. Havel and
D.G. Cory,
__J. Magn. Reson.__**140:371-378**(1999). - Generalized
(controlled)
^{n}-NOT quantum logic gates" by M.D. Price, S.S. Somaroo, A.E. Dunlop, T.F. Havel and D.G. Cory,__Phys. Rev. A__**60:2777-2780**(1999). - "Quantum simulation
of a three-body interaction Hamiltonian on an NMR quantum computer" by
C.-H. Tseng, S. Somaroo, Y. Sharf, E. Knill, R. Laflamme, T.F. Havel
and D.G. Cory,
__Phys. Rev. A__**61:012302**(2000). - "Principles and
demonstrations of quantum information processing by NMR spectroscopy"
by T.F. Havel, S.S. Somaroo, C.-H. Tseng and D.G. Cory, Springer series
on
__Applicable Algebra in Engineering, Communication and Computing__**10:339-374**(2000). - "Geometric algebra
methods in quantum information processing by NMR spectroscopy" by T.F.
Havel, D.G. Cory, S.S. Somaroo and C.-H. Tseng, in
*Geometrical Algebras with Applications in Science and Engineering*(eds E. Bayro-Corrochanno & G. Sobczyk), Birkhauser (2001). - "A study of quantum
error correction by geometric algebra and liquid-state NMR
spectroscopy" by T.F. Havel, S.S. Somaroo, Y. Sharf, D.G. Cory, E.
Knill, R. Laflamme and W.H. Zurek,
__Mol. Phys.__**98:1347-1363**(2000). - "Quantum simulation
with natural decoherence" by C.-H. Tseng, S.S. Somaroo, Y. Sharf, E.
Knill, R. Laflamme, T.F. Havel & D.G. Cory,
__Phys. Rev. A__**62:032309**(2000) . - "Quantum codes for
controlling coherent evolution" by Y. Sharf, T.F. Havel and D.G. Cory,
__J. Chem. Phys.__**113:10878-10885**(2000). - "NMR based quantum information processing: Achievements and prospects" by D.G. Cory, R. Laflamme, E. Knill, L. Viola, T.F. Havel, N. Boulant, G. Boutis, E. Fortunato, S. Lloyd, R. Martinez, C. Negrevergne, M. Pravia, Y. Sharf, G. Teklemariam, Y.S. Weinstein and W.H. Zurek,
__Fortschritte der Physik (Progress in Physics)__**48:875-907**(2000) - "Spatially encoded
pseudo-pure states for NMR quantum information processing" by Y. Sharf,
T.F. Havel and D.G. Cory,
__Phys. Rev. A__**62:052314**(2000). - "Hadamard products of
product operators and the design of gradient-diffusion experiments for
simulating decoherence by NMR spectroscopy" by T.F. Havel, Y. Sharf, L.
Viola and D.G. Cory,
__Phys. Lett. A__**280:282-288**(2001). - "An NMR analog of the
quantum disentanglement eraser" by G. Teklemariam, E.M. Fortunato, T.F.
Havel and D.G. Cory,
__Phys. Rev. Lett.__**86:5845-5849**(2001). - "Entanglement
transfer experiment in NMR quantum information processing" by N.
Boulant, E.M. Fortunato, M.A. Pravia, G. Teklemariam, D.G. Cory and
T.F. Havel,
__Phys. Rev. A__**65:024302**(2002). - "Experimental concatentation of quantum error correction and decoupling" by 58. N. Boulant, M.A. Pravia, E.M. Fortunato, T.F. Havel and D.G. Cory,
__Quantum Inform. Processing__**1:135-144**(2002). - "Quantum erasers and
probing classifications of entanglement via nuclear magnetic resonance"
by G. Teklemariam, E.M. Fortunato, M.A. Pravia, Y. Sharf,
T.F. Havel,
D.G. Cory, A. Bhattaharyya and
J. Hou,
__Phys. Rev. A__**66:012309**(2002). - "Quantum information
processing by nuclear magnetic resonance spectroscopy" by T.F. Havel,
D.G. Cory, S. Lloyd, N. Boulant, E.M. Fortunato, M.A. Pravia, G.
Teklemariam, Y.S. Weinstein, A. Bhattacharyya and J. Hou,
__Am. J. Phys.__**70:345-362**(2002). - "The real density
matrix" by T.F. Havel,
__Quantum Information Processing__**1:511-538**(2002). - "Design of strongly
modulating pulses to implement precise effective hamiltonians for
quantum information processing" by E.M. Fortunato, M.A. Pravia, N.
Boulant, G. Teklemariam, T.F. Havel and D.G. Cory,
__J. Chem. Phys.__,**116:7599-7606**(2002). - "Robust procedures
for converting among Kraus, Lindblad and matrix representations of
quantum dynamical semigroups" by T.F. Havel,
__J. Math. Phys.__**44:534-557**(2003). - "A robust method for
estimating the Lindblad operators of a dissipative quantum process from
measurements of the density operator at multiple time points" by N.
Boulant, T.F. Havel, M.A. Pravia and D.G. Cory,
__Phys. Rev. A__**67:042322**(2003). - "Exploring noiseless
subsystems via nuclear magnetic resonance" by E.M. Fortunato, L. Viola,
M.A. Pravia, E. Knill, R. Laflamme, T.F. Havel and D.G. Cory,
__Phys. Rev. A__**67:062303**(2003). - "Experimental investigations of decoherence on a
quantum information processor" by G. Teklemariam, E.M. Fortunato, M.A. Pravia,
T.F. Havel and D.G. Cory,
__Chaos, Solitons and Fractals__**16:457-465**(2003). - "A method for
modeling decoherence on a quantum information processor" by G.
Teklemariam, E.M. Fortunato, C.C. Lopez, J. Emerson, J.-P. Paz, T.F.
Havel and D.G. Cory,
__Phys. Rev. A__**67:062316**(2003). - "Robust control of quantum information"
by M.A. Pravia, N. Boulant, J. Emerson, A. Farid, E.M. Fortunato, T.F. Havel,
R. Martinez and D.G. Cory,
__J. Chem. Phys.__**119:9993-10001**(2003). - "Experimental simulation of spin squeezing by nuclear magnetic resonance" by Suddhasattwa Sinha, T.F. Havel, J. Emerson, N. Boulant, E.M. Fortunato and D.G. Cory,
__Quantum Inform. Processing__**2:433-448**(2003). - "Incoherent noise in quantum information processing" by N. Boulant, J. Emerson, T.F. Havel, D.G. Cory and S. Furuta,
__J. Chem. Phys.__**121:2955-2961**(2004). - "Geometric algebra and transition-selective implementations of the controlled-NOT gate" by T.F. Havel, S.S. Somaroo, W. Zhang and D.G. Cory,
__Concepts in Magn. Reson.__**23A:49-62**(2004). - "Quantum process tomography of the quantum Fourier transform" by Y.S. Weinstein, T.F. Havel, J. Emerson, N. Boulant, M. Saracenos, S. Lloyd and D.G. Cory,
__J. Chem. Phys.__**121:6117-6133**(2004). - "Selective coherence transfers in homonuclear dipolar coupled spin systems" by Chandrasekhar Ramanathan, Suddhasattwa Sinha, J. Baugh, T.F. Havel, and D.G. Cory,
__Phys. Rev. A__**71:020303(R)**(2005). - "Reflection symmetries for multiqubit density operators" by C. Altafini and T.F. Havel,
__J. Math. Phys.__**47:032104**(2006). - "Solid-state NMR three-qubit homonuclear system for quantum-information processing: Control and characterization" by J. Baugh, O. Moussa, C.A. Ryan, R. Laflamme, C. Ramanathan, T.F. Havel and D.G. Cory,
__Phys. Rev. A__**73:022305**(2006). - "Quantum control of nuclear spins" by J.S. Hodges, P. Cappellaro, T.F. Havel and D.G. Cory,
__Proc. 45__, pp.^{th}IEEE Conf. Decision & Control**2488-2494**(2006). - "Principles of control for decoherence-free subsystems" by P. Cappellaro, J.S. Hodges, T.F. Havel and D.G. Cory,
__J. Chem. Phys.__**125:044514**(2006). - "Experimental implementation of a logical Bell state encoding" by J.S. Hodges, P. Cappellaro, T.F. Havel, R. Martinez and D.G. Cory,
__Phys. Rev. A__**75:042320**(2007). - "Subsystem pseudopure states" by P. Cappellaro, J.S. Hodges, T.F. Havel and D.G. Cory,
__Phys. Rev. A__**75:042321**(2007). - "Storing elastic energy in carbon nanotubes" by F. A. Hill, T.F. Havel, A.J. Hart and C. Livermore,
__Micromech. Microengin.__**19:094015-5**(2009). - "Modeling mechanical energy storage in springs based on carbon nanotubes" by F. A. Hill, T.F. Havel and C. Livermore,
__Nanotechnology__**20:255704-12**(2009).