Optimal control design of NMR and dynamic nuclear polarization experiments using monotonically convergent algorithms

Journal of Chemical Physics

Volumn 128, Issue 18, 2008, Pages

  Maximov, Ivan I ^a   Tošner, Zdeněk ^a,b   Nielsen, Niels Chr ^a  

^a AARHUS UNIVERSITY   (Denmark)

^b CHARLES UNIVERSITY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; GRADIENT METHODS; HAMILTONIANS; MICROWAVE DEVICES; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; OPTIMAL CONTROL SYSTEMS; POLARIZATION;

KROTOV METHODS; MICROWAVE POWER CONSUMPTION; NUCLEAR POLARIZATION; PULSE SEQUENCES;

MAGNETOELECTRONICS;

ALGORITHM; ARTICLE; METHODOLOGY; MICROWAVE RADIATION; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; QUANTUM THEORY; RADIOFREQUENCY RADIATION; TIME;

ALGORITHMS; MAGNETIC RESONANCE SPECTROSCOPY; MICROWAVES; QUANTUM THEORY; RADIO WAVES; TIME FACTORS;

EID: 43949086203     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2903458     Document Type: Article

References (53)

1. L. Pontryagin, B. Boltyanskii, R. Gamkrelidze, and E. Mishchenko, The Mathematical Theory of Optimal Processes (Wiley Interscience, New York, 1962).
2. A. Bryson, Jr. and Y.-C. Ho, Applied Optimal Control (Hemisphere, Washington, DC, 1975).
3. V. F. Krotov, Global Methods in Optimal Control Theory (Dekker, New York, 1995).
4. R. Kozloff, S. A. Rice, P. Gaspard, S. Tersigni, and D. J. Tannor, Chem. Phys. 139, 201 (1989).
5. J. Somloi, V. A. Kazakov, and D. Tannor, Chem. Phys. 172, 85 (1993).
6. A. P. Peirce, M. A. Dahleh, and H. Rabitz, Phys. Rev. A 37, 4950 (1988).
7. W. Zhu and H. Rabitz, J. Chem. Phys. 109, 385 (1998).
8. H. Rabitz, R. de Vivie-Riedle, M. Motzkus, and K. Kompa, Science 288, 831 (2000).
9. Y. Ohtsuki, G. Turinici, and H. Rabitz, J. Chem. Phys. 120, 5509 (2004).
10. Y. Ohtsuki, Y. Teranishi, P. Saalfrank, G. Turinici, and H. Rabitz, Phys. Rev. A 75, 033407 (2007).
11. S. Conolly, D. Nishimura, and A. Macovsky, IEEE Trans. Med. Imaging MI-5, 106 (1986).
12. J. Mao, T. H. Mareci, K. N. Scott, and E. R. Andrew, J. Magn. Reson. (1969-1992) 70, 310 (1986).
13. T. Reiss, N. Khaneja, and S. J. Glaser, J. Magn. Reson. 154, 192 (2002).
14. N. Khaneja, T. Reiss, B. Luy, and S. J. Glaser, J. Magn. Reson. 162, 311 (2003).
15. N. Khaneja, J.-S. Li, C. Kehlet, B. Luy, and S. J. Glaser, Proc. Natl. Acad. Sci. U.S.A. 101, 14742 (2004).
16. K. Kobzar, B. Luy, N. Khaneja, and S. J. Glaser, J. Magn. Reson. 173, 229 (2005).
17. N. Khaneja, T. Reiss, C. Kehlet, T. Schulte-Herbrüggen, and S. J. Glaser, J. Magn. Reson. 172, 296 (2005).
18. N. Khaneja, F. Kramer, and S. J. Glaser, J. Magn. Reson. 173, 116 (2005).
19. J. L. Neves, B. Heitmann, T. O. Reiss, H. H. R. Schor, N. Khaneja, and S. J. Glaser, J. Magn. Reson. 181, 126 (2006).
20. N. Khaneja, B. Heitmann, A. Spörl, H. Yuan, and S. J. Glaser, Phys. Rev. A 75, 012322 (2007).
21. C. T. Kehlet, A. C. Sivertsen, M. Bjerring, T. O. Reiss, N. Khaneja, S. J. Glaser, and N. C. Nielsen, J. Am. Chem. Soc. 126, 10202 (2004).
22. C. T. Kehlet, T. Vosegaard, N. Khaneja, S. J. Glaser, and N. C. Nielsen, Chem. Phys. Lett. 414, 204 (2005).
23. T. Vosegaard, C. T. Kehlet, N. Khaneja, S. J. Glaser, and N. C. Nielsen, J. Am. Chem. Soc. 127, 13768 (2005).
24. Z. Tošner, S. J. Glaser, N. Khaneja, and N. C. Nielsen, J. Chem. Phys. 125, 184502 (2006).
25. C. Kehlet and N. C. Nielsen, Bruker Spin Report 157, 31 (2007).
26. C. Kehlet, M. Bjerring, A. C. Sivertsen, T. Kristensen, J. J. Enghild, S. J. Glaser, N. Khaneja, and N. C. Nielsen, J. Magn. Reson. 188, 216 (2007).
27. J.. Hansen, C. Kehlet, M. Bjerring, T. Vosegaard, S. J. Glaser, N. Khaneja, and N. C. Nielsen, Chem. Phys. Lett. 447, 154 (2007).
28. O. W. Sørensen, J. Magn. Reson. (1969-1992) 86, 435 (1990).
29. N. C. Nielsen, T. Schulte-Herbrüggen, and O. W. Sørensen, Mol. Phys. 85, 1205 (1995).
30. J. Stoustrup, O. Schedletzky, S. J. Glaser, C. Griesinger, N. C. Nielsen, and O. W. Sørensen, Phys. Rev. Lett. 74, 2921 (1995).
31. S. J. Glaser, T. Schulte-Herbrüggen, M. Sieveking, O. Schedletzky, N. C. Nielsen, O. W. Sørensen, and C. Griesinger, Science 280, 421 (1998).
32. Copyright (C) 1989-2005. INRIA ENPC, SCILAB is a trademark of INRIA, http://www.scilab.org
33. J. P. Paolo and R. Kosloff, Phys. Rev. Lett. 89, 188301 (2002).
34. Y. Ohtsuki, W. Zhu, and H. Rabitz, J. Chem. Phys. 110, 9825 (1999).
35. S. G. Schirmer, M. D. Girardeau, and J. V. Leahy, Phys. Rev. A 61, 012101 (2000).
36. J. Salomon and G. Turinici, J. Chem. Phys. 124, 074102 (2006).
37. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes: The Art of Scientific Computing, 3rd ed. (Cambridge University Press, Cambridge, 2007).
38. D. J. Tannor, V. Kazakov, and V. Orlov, in Time-Dependent Quantum Molecular Dynamics, edited by, J. Broeckhove, and, L. Lathouwers, (Plenum, New York, 1992).
39. Y. Maday and G. Turinici, J. Chem. Phys. 118, 8191 (2003).
40. L. Baudouin and J. Salomon, C. R. Acad. Sci., Ser. I: Math. 342, 119 (2006).
41. Y. Maday, J. Salomon, and G. Turinici, Numer. Math. 103, 323 (2006).
42. J. Salomon, Math. Modell. Numer. Anal. 41, 77 (2007).
43. G. A. Morris and R. Freeman, J. Am. Chem. Soc. 101, 760 (1979).
44. D. P. Burum and R. R. Ernst, J. Magn. Reson. (1969-1992) 39, 163 (1980).
45. M. H. Levitt, J. Chem. Phys. 94, 30 (1991).
46. T. Untidt, T. Schulte-Herbrüggen, B. Luy, S. J. Glaser, C. Griesinger, O. W. Sørensen, and N. C. Nielsen, Mol. Phys. 95, 787 (1998).
47. S. J. Glaser, Proceedings of Dynamic Nuclear Polarisation Symposium (University of Nottingham, Nottingham, United Kingdom, 2007).
48. G. Jeschke and A. Schweiger, Mol. Phys. 88, 355 (1996).
49. A. Schweiger and G. Jeschke, Principles of Electron Paramagnetic Resonance (Oxford University Press, New York, 2001).
50. V. Weis, M. Bennati, M. Rosay, and R. G. Griffin, J. Chem. Phys. 113, 6795 (2000).
51. V. Weis and R. G. Griffin, Solid State Nucl. Magn. Reson. 29, 66 (2006).
52. A. Abragam and M. Goldman, Rep. Prog. Phys. 41, 395 (1978).
53. F. Bloch and A. Siegert, Phys. Rev. 57, 522 (1940).