Biography

RAYMOND R SADEGHI

University of Texas at San Antonio

Department of Chemistry

1, UTSA Circle

San Antonio, TX 78249

Phone: (303) 847-7285

Office: (210) 458-5747

E-mail: raymond.sadeghi@utsa.edu

Education:

Ph.D., Chemical Physics, the University of Colorado, Boulder 1994

M.S, Computer Science, the University of Colorado, Boulder 2003

B.S., Chemistry, the University of Texas, 1989

Research:

  - Simulation of Chemical Reactions using Time-dependent wave packet propagator

using fast Fourier Transform (publications 1-5)

  - Simulation of photodissociation Dynamics of CO₂ in the upper

atmosphere using electronic structure calculation and

wave packet propagator simulators.  The work involved collaborating with the

experiments done at Brown University in Peter Webers laboratories.

(publication 6)

  - Simulation of Reaction in the bulk using Monte Carlo simulation

(publication 10)

 - Simulation of Reactions using Electron-Nuclear Dynamics for reaction of

electrons with gaseous oxygen, hydrogen (University of Florida).

 - Developed a faster Data Base using Oracle 8i (Dell Inc., Austin, TX)

 - Kinetic modeling of combustion of methane using Runge-Kutta and techniques

in the field of non-linear dynamics.  The experiments were done at Argonne

National Laboratories where we obtained the necessary rate-constants required for the

 simulations.

Employment History:

8/2021 to Present:                Associate Professor of Instruction Department of Chemistry University of Texas at San Antonio

8/2012- 8/2021           Senior Lecturer, Department of Chemistry University of Texas at

                                    San Antonio

8/06                                Visiting researcher, Department of Chemistry & Biochemistry,

             Texas Tech University

12/06                           Visiting Scientist, Department of Chemistry & Biochemistry,

                                    University of Colorado

9/05 –08/2020           Senior Lecturer, The University of Texas at San Antonio

7/05 – 8/05              Research associate, Physical Organic Chemistry, Department of Chemistry

                                 & Biochemistry, University of Colorado at Boulder

8/01- 5/05               Lecturer, University of Colorado, Department of Chemistry

1/99 – 1/01      Lecturer, The University of Texas at San Antonio, Department of Chemistry

1/01-8/01       Dell Inc., Data Base Analyst

5/95-1/99       Post-doctoral research, The University of Florida,

                              Gainesville, FL

4/95 - 8/95     Visiting Scientist, Physikalisch-Chemisches Institute

                         Universitat Heidelberg,  Heidelberg, Germany

8/91 - 12/91     Visiting Scientist, Institute Theoretical Physics,

                        Santa Barbara, CA

8/89 - 4/94      Teaching Assistant, University of Colorado, Boulder,

                         Department of Chemistry.

Courses Taught:

Academic Inquiry & Scholarship:

AIS 1203

Chemistry:

Basic Chemistry, General Chemistry 1 and 2, Quantitative Topics (Advanced Calculus), Physical Chemistry 1 and 2, Graduate Quantum Chemistry, Chemical Kinetics and Dynamics, General Chemistry 2 Laboratory coordinator (Fall 2012 to present)

Mathematics:

Calculus 1, 2, 3  (taught at UTSA Department of Mathematics from Summer of 2006 to Fall 2018)

 Publications:

1. ``High Energy Transition State Resonances in the H+ H₂ Reaction";

Sadeghi, R.; Skodje, R. T.; J. Chem. Phys. 98, 9208 (1993).

2. ``Spectral Quantization of High Energy Transition State Resonances in

the H+ H₂ Reaction"; Sadeghi, R.; Skodje, R. T.;

1. Chem. Phys. 99, 5126 (1993).

3. ``Spectral Quantization of Transition State Dynamics for the Three

Dimensional  H+ H₂ Reaction"; Skodje, R. T.; Sadeghi, R.; Krause, J. L.;

Koppel H.; J. Chem. Phys.  101, 1725 (1994).

4. ``Barriers, Thresholds, and Resonances: Spectral Quantization

of the Transition State for the Collinear  D+ H₂ Reaction";

Sadeghi, R.; Skodje, R. T.; J. Chem. Phys.  101, 1725 (1995).

5. ``Spectroscopy of Potential Barriers: An Analytic Line-Shape

Formula for Broad Resonances"; Sadeghi, R.;

Skodje, R. T.;  Phys. Rev. A 52, 1996 (1995).

6. ``Control of Transition State Spectra: Enhancement of Diffuse Structure

in the Photodissociation Spectrum of CO₂"; Sadeghi, R.; Skodje, R. T.;

1. Chem. Phys. 105, 7504 (1996).

7. ``Quantum Dynamics at the Transition State: Spectral Quantization and

Spectral Control applied to the FH₂  Photodetachment Process"; Skodje, R. T.;

Sadeghi, R.; and Krause, J. L.; J. Chem. Soc. Faraday Trans. 93, 765

(1997).

8. ``Control of Transition State Spectra: A Variational Algorithm"; Skodje, R.T.; Sadeghi, R.; and Krause, J. L.; Chemical Physics 240 (1999).

9. ``Structure and Dynamics of the S₃ State of CS₂"; Sadeghi, R.; Krause,
10. L.; Skodje, R. T.; J. Chem. Phys. 107, 6570 (1997).

10. ``The Dynamics of Proton Transfer in a Water Chain"; Sadeghi, R.; Cheng,

H-P.; J. Chem. Phys.  111, 2086 (2000).

11. Coherent State Dynamics of H⁺ + HF reaction at E_lab=30 eV”, Maiti, B., Sadeghi, R. Morales, J.,  Phys. 340, 105 (2007).

12. “Dynamics for the Dynamic Frank Harris: Exploring H⁺ + CF₄ Reaction at E_Lab = 20 and 30 eV", Maiti, P. M. McLaurin, R. Sadeghi, S. A. Perera and J. A. Morales, International Journal of Quantum Chemistry, 109, 3026-3035 (2009).

Work in Progress:

Time-dependent semiclassical approach to a highly activated complex molecule”, Sadeghi, R., (in preparation)

Conferences Attended and Presentations

2/95     Poster Presentation “Control of Reaction Dynamics”, Sanibel Annual Symposium, St. Augustine, FL

6/95    Invited Speaker “Photodissociation Dynamics of CO₂”, The Southeastern Conference on Theoretical Chemistry, Florida State University, Tallahassee, FL

 10/96   Speaker, Chemistry Colloquium “Transition State Spectroscopy”, Quantum Theory Project, University of Florida, Gainesville, FL

8/97    Poster Presentation “Resonance in Chemical Reactions”, The Conference in Theoretical Chemistry, Park City, Utah.

2/98    Poster Presentation, Annual Sanibel Symposium, St. Augustine, FL

5/98    Invited Speaker “Proton Transfer in water-wires”, The Southeastern Conference on Theoretical Chemistry, Florida State University, Tallahassee, FL