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Invited Conference Talks
2005-2009

16. A. Brown and M. Schroeder, "Optimal control theory and MCTDH ", December 2009, MCTDH developers workshop, Birmingham, UK.

15. A. Brown, "Controlling quantum dynamics in polyatomic molecules: The optimal control theory multi-configurational time-dependent Hartree approach ", May 2009, 92nd Canadian Chemistry Conference, Hamilton, ON, Canada.

14. A. Brown, "Using lasers to control quantum dynamics" , July 2008, Electronic structure theory and quantum dynamics: A one-day symposium in honour of Gabriel Balint-Kurti, Bristol, England.

13. A. Brown, "Molecular photodissociation: What can we learn about electronic structure from making molecules fall apart" , June 2008, Odyssey 2008: Mathematical and Computational aspects of molecular electronic structure calculation, Edmonton, AB, Canada.

12. A. Brown, "Laser control of polyatomic molecules: The optimal control theory multi- configuration time-dependent Hartree approach" , November 2007, Waterloo Symposium on Chemical Physics, Waterloo, ON, Canada.

11. A. Brown, "Pulse shaping for the optimal control of molecular excitations" , August 2007, 16th Canadian Symposium on Theoretical Chemistry, St. John's, NL, Canada.

10. A. Brown and Q. Timerghazin, "Computational investigation of fluorescent proteins" , May 2007, 90th Canadian Chemistry Conference, Winnipeg, MB, Canada.

9. A. Brown, " Laser control of molecular processes ", May 2007, 7th Annual CERMM Symposium, Montreal, QC, Canada.

8. A. Brown, " Theoretical determination of the polarization of atomic photofragments ", August 2006, XIth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XI), St.Petersburg, Russia.

7. A. Brown, "Pulse shaping for the optimal control of molecular processes ", July 2006, 6th Canadian Computational Chemistry Conference, Vancouver, BC, Canada. (Invited Talk)

6. A. Brown, "Photodissociation dynamics: Polarization of atomic fragments ", March 2006, 2nd International Conference on Current Developments in Atomic, Molecular, and Optical Physics with Applications (CDAMOP 2006), Dehli, India.

5. A. Brown, "Time-dependent wavepacket studies of hydrogen halide dissociation: Polarization of atomic fragments ", July 2005, CCP6 Workshop on Vector Correlation and Alignment in Chemistry, Bristol, England.

4. A. Brown, "Photodissociation dynamics: Polarization of atomic photofragments ", May 2005, 88th Canadian Chemistry Conference, Saskatoon, Saskatchewan, Canada.

Contributed Conference Talks
by Group Members or Collaborators
2005-2009

(NOTE: Speaker underlined.)

30.H.K. Avetissian, A. Brown, and G.F. Mkrtchian, "Population transfer in four-level atomic or molecular systems with far-optical transitions" July 2009, 41st EGAS Conference, Gdansk, Poland.

31. Q.K. Timerghazin and A. Brown, "Electronic structure ofthe green fluorescent protein chromophore in the ground and excited states: A topological appraoch" , May 2009, 92nd Canadian Chemistry Conference, Hamilton, ON, Canada.

30. Q.K. Timerghazin, P.-N. Roy, A. Brown, and R.E. Campbell, "Dynamics of the ground state green fluorescent protein chromophore Z-E isomerization" , May 2009, 92nd Canadian Chemistry Conference, Hamilton, ON, Canada.

29.M. Schroeder and A. Brown, "Realization of quantum gate operations in 6D ammonia using the OCT-MCTDH approach" March 2009, 4th Annual Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Banff, AB, Canada.

28. J.G. Cuervo and A. Brown, "Fitting molecular potential energy surfaces using neural networks" March 2009, 4th Annual Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Banff, AB, Canada.

27. J.-L. Carreon-Macedo, M. Schroeder, and A. Brown, "Optimal control of a CARS process for molecular vibrational states of CS2: The OCT-MCTDH approach" March 2009, 4th Annual Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Banff, AB, Canada.

26.R. Zaari and A. Brown, "Rovibrational state control using shaped laser pulses: Application to quantum gate operations in diatomics" March 2009, 4th Annual Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Banff, AB, Canada.

25. M. Schroeder and A. Brown, "Quantum gate operations in 6D Ammonia using the OCT-MCTDH approach" November 2008, Symposium on Chemical Physics, Waterloo, ON, Canada.

24. Q.K. Timerghazin and A. Brown, "Fluorescent Probes in biochemistry - can computational chemistry help?" , August 2008, MOLEC XVII: European Conference on Dynamics of Molecular Systems St. Petersburg, Russia.

23. Q.K. Timerghazin, H.J. Carlson, D. Cotton, R.E. Campbell, and A. Brown, "Photoemission of Fluorescent Protein Chromophores" , May 2008, 91st Canadian Chemistry Conference, Edmonton, AB, Canada.

22. Q.K. Timerghazin, H.J. Carlson, D. Cotton, R.E. Campbell, and A. Brown, "Photoemission of Fluorescent Protein Chromophores" , April 2008, 8th Annual CERMM Symposium, Montreal, QC, Canada.

21. M. Schroeder, J.-L. Carreon-Macedo, and A. Brown, "Combination of MCTDH with optimal control theory" , March 2008, 3rd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

20. S.Y. Wong, J.L. Carreon-Macedo, P.N. Roy, and A. Brown, "Ab initio molecular dynamics with the semiclassical initial value representation .I. Theory" , March 2008, 3rd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

19. J.L. Carreon-Macedo, S.Y. Wong, P.N. Roy, and A. Brown, "Ab initio molecular dynamics with the semiclassical initial value representation.II.Vibrational energy states of H2CO, NH3, CH4, and CH2D2" , March 2008, 3rd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

18. Q.K. Timerghazin, H.J. Carlson, D. Cotton, R.E. Campbell, and A. Brown, "Photoemission of Fluorescent Protein Chromophores" , March 2008, 3rd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

17. R. Zaari and A. Brown, "Rapid and efficient picosecond laser pulse molecular control" , March 2008, 3rd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

16. A. Brown, M. Schroeder, J.-L. Carreon-Macedo, "Combining MCTDH with optimal control theory ", February 2008, 2nd Workshop on high-dimensional quantum dynamics, La Grande Motte, France.

15. A. Brown, "From particle-in-a-box to computational chemistry: In one term? In second year? ", May 2007, 90th Canadian Chemistry Conference, Winnipeg, MB, Canada.

14. J.-L. Carreon-Macedo, M. Schroeder, and A. Brown, "Molecular quantum computing: The multi-configuration time-dependent Hartree approach" , May 2007, 90th Canadian Chemistry Conference, Winnipeg, MB, Canada.

13. S. Wong, A. Brown, and P.-N. Roy, "Ab initio molecular dynamics: Implementation in the molecular modeling toolkit" , March 2007, 2nd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

12. J.-L. Carreon-Macedo, M. Schroeder, and A. Brown, "Using optimal control theory and MCTDH to realize quantum gate operations in multidimensional systems" , March 2007, 2nd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

11. J.-L. Carreon-Macedo, M. Schroeder, and A. Brown, "Full-dimensional potential energy surfaces and dipole functions of candidate molecules for quantum computing" , March 2007, 2nd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

10. Q. Timerghazin and A. Brown, "Fluorescent Proteins: A Computational Approach" , March 2007, 2nd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

9. R. Zaari, T. Cheng, and A. Brown, "Tailoring laser pulses to control molecular excitation: The genetic algorithm" , March 2007, 2nd Annual Jasper Symposium on Theoretical and Experimental Spectroscopy and Dynamics, Jasper, AB, Canada.

8. R. Zaari, T. Cheng, and A. Brown, "Optimal laser control of vibrational population transfer" , May 2006, Western Canadian Undergraduate Chemistry Conference, Edmonton, AB, Canada.

7. J. Kadosh, T. Cheng, and A. Brown, "Optimal laser control of vibrational population transfer: Isotope effects" , May 2005, Western Canadian Undergraduate Chemistry Conference, Victoria, BC, Canada.

Conference Poster Presentations
2005-2009
(NOTE: Poster presenter underlined.)

43. J.-L. Carreon-Macedo and A. Brown, Bridging the gap between every day academic research, students and the new information and communication technologies, August 2009, A Taste of Technology, University of Alberta, Edmonton , Alberta.

42. A. Brown, S. Koh, Q. K. Timerghazin, J. A. Key, and C.W. Cairo, Substituted coumarins as fluorogenic probes: Computational studies of photoabsorption and fluorescence, July 2009, 7th Canadian Conference on Computational Chemistry, Halifax, NS, Canada.

41. S.Y. Wong, P.N. Roy, and A. Brown, Vibrational states of H2CO: A direct dynamics semiclassical initial value representation approach,, July 2009, 7th Canadian Conference on Computational Chemistry, Halifax, NS, Canada.

40. Q. Timerghazin, P.N. Roy, A. Brown and R.E. Campbell, Ground-state green Fluorescent Protein Chromophore Z-E isomerization, July 2009, 7th Canadian Conference on Computational Chemistry, Halifax, NS, Canada.

39. J.-L. Carreon-Macedo, M. Schroeder, and A. Brown, Ab initio potential energy and dipole moment surfaces for CS2: Towards an optimal control of a CARS process using the OCT-MCTDH approach, July 2009, 7th Canadian Conference on Computational Chemistry, Halifax, NS, Canada.

38. J.A. Key, S. Koh, Q.K. Timerghazin, A. Brown, and C.W. Cairo, "A profluorophore labeling strategy for cell surface glycoconjugates" , May 2009, 5th National Carbohydrate Symposium, Banff, Alberta, Canada.

37. R.R. Zaari and A. Brown, "Rovibrational state control using shaped laser pulses: Application to quantum gate operations in diatomics" , April 2009, EPSRC CoCoChem Summer School: Coherent control of molecules, London, England.

36. Q.K. Timerghazin, H.J. Carlson, D.W. Cotton, R.E. Campbell, and A. Brown, "Photoemission of fluorescent protein chromophores" , July 2008, Computational molecular science 2008, Cirencester, England.

35. J.-L. Carreon-Macedo, S.Y. Wong, P.N. Roy and A. Brown, "Ab initio molecular dynamics with the semiclassical initial value representation" , July 2008, Computational molecular science 2008, Cirencester, England.

34. Q.K. Timerghazin and A. Brown, "Photoemission of fluorescent protein chromophores" , June 2008, Odyssey 2008: Mathematical and computational aspects of moelcular electronic structure calculation, Edmonton, Alberta, Canada.

33. S.Y. Wong, J.-L. Carreon-Macedo, P.N. Roy and A. Brown, "Ab initio molecular dynamics with the semiclassical initial value representation" , June 2008, Odyssey 2008: Mathematical and computational aspects of moelcular electronic structure calculation, Edmonton, Alberta, Canada.

32. S. Koh, Q.K. Timerghazin, J. Key, C.W. Cairo, and A. Brown, "Computational study of photoabsorption of substituted coumarins" , May 2008, 91st Canadian Chemistry Conference, Edmonton, Alberta, Canada.

31. M. Schroeder, J.-L. Carreon-Macedo, and A. Brown, " Using MCTDH with optimal control theory and filter techniques" , May 2008, 91st Canadian Chemistry Conference, Edmonton, Alberta, Canada.

30. S.Y. Wong, J.-L. Carreon-Macedo, P.N. Roy and A. Brown, "Ab initio molecular dynamics with the semiclassical initial value representation" , May 2008, 91st Canadian Chemistry Conference, Edmonton, Alberta, Canada.

29. R.R. Zaari and A. Brown, "Rapid and efficient picosecond laser pulse control" , May 2008, 91st Canadian Chemistry Conference, Edmonton, Alberta, Canada.

28. M. Schroeder, J.-L. Carreon-Macedo, and A. Brown, "Molecular quantum computing using the multi-configuration time-dependent Hartree approach" , April 2008, 4th Annual Postdoctoral Research Day, University of Alberta, Edmonton, Alberta, Canada.

27. M. Schroeder, J.-L. Carreon-Macedo, and A. Brown, "Implementation of optimal control theory algorithms into MCTDH" , February 2008, 2nd Workshop on high-dimensional quantum dynamics, La Grande Motte, France.

26. S.Y. Wong, P.N. Roy, and A. Brown, "Electronic structure study and direct dynamics simulations of the ground and excited states of CH3OCl ", November 2007, Waterloo Symposium on Chemical Physics, Waterloo, Ontario, Canada.

25. A. Brown, Q.K. Timerghazin, C. Liang, H. Carlson, and R.E. Campbell, "Fluorescent proteins: Benchmarking computational methods against new experimental measurements ", August 2007, American Chemical Society 234th Mational Meeting and Exposition, Boston, MA, USA.

24. R.R. Zaari and A. Brown, "Targeted vibrational excitation of ClO: Optimal control theory and genetic algorithm results ", August 2007, 16th Canadian Symposium on Theoretical Chemistry, St. John's, NL, Canada.

23. S.Y. Wong, P.N. Roy, and A. Brown, "Implementation of ab initio molecular dynamics in the molecular modelling toolkit ", August 2007, 16th Canadian Symposium on Theoretical Chemistry, St. John's, NL, Canada.

22. Q.K. Timerghazin, A. Brown, C. Liang, H. Carlson, and R.E. Campbell, "Fluorescent proteins: Benchmarking computational methods against new experimental measurements ", August 2007, 16th Canadian Symposium on Theoretical Chemistry, St. John's, NL, Canada.

21. M. Schroeder, J.-L. Carreon-Macedo, and A. Brown, "Molecular quantum computing using the multi-configuration time-dependent Hartree approach", August 2007, 16th Canadian Symposium on Theoretical Chemistry, St. John's, NL, Canada.

20. A. Brown,A. Smolin, O.S. Vasyutinskii, and G.G. Balint-Kurti, "Photodissociation of HBr and DBr: Vector correlation coefficients ", November 2006, Waterloo Symposium on Chemical Physics, Waterloo, Ontario, Canada.

19. T. Cheng, R. Zaari, J. Kadosh, and A. Brown, "Optimal control of vibrational transitions ", October 2005, Waterloo Symposium on Chemical Physics, Waterloo, Ontario, Canada.

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Last updated January 4, 2010.