Texas Tech University

Praveen Kumar

College of Arts & Sciences, Department of Chemistry & Biochemistry

Praveen KumarDr. Kumar received his Ph.D. in Theoretical Chemical Physics/quantum control of molecular processes from Panjab University Chandigarh, India. During his Ph.D., he was awarded a Royal Society fellowship to visit Prof. G. G. Balint-Kurti's research group at the School of Chemistry, University of Bristol, UK. He completed postdoctoral studies in Optical Interctions with Matter/controlling coherence in multi-level systems using Optimal Control Theory at the Stevens Institute of Technology, Hoboken NJ and in energy transfer dynamics and modeling of light-harvesting complexes at the Queens College of the City University of New York, by receiving NSF and DoE postdoctoral fellowships.

At Texas Tech University, he is working on the development and application of the ScalIT suite of parallel codes for performing accurate quantum dynamics calculations for molecular systems. These calculations encompass rovibrational spectroscopy and wavefunction analysis of tri and tertaatomic molecules on the ground and excited electronic state potential energy surfaces. He is particularly interested in the rovibrational states of the sulfur dioxide (SO2) isotopologues, which are regarded as a key to understanding the mass-independent fractionation of sulfur isotopes (S-MIF) observed in the Archean record. The latter relates to oxygen levels in the Archean atmosphere and the "Great Oxygeneation Event" (S. D. Domagal-Goldman et al, 2012). This work is funded by a research grant from NASA Astrobiology.

Recent Publications: 1. Jacek Klos, Millard H. Alexander, Praveen Kumar, Bill Poirier, Bin Jiang, and H. Guo, New ab initio potential energy surfaces and bound state calculations for the singlet ground X1A1 and excited C1B2(21A') states of SO2, J. Chem. Phys. 144, 174301 (2016).
2. Praveen Kumar and B. Poirier, Rovibrational bound states of SO 2 isotopologues. II: Total angular momentum J=11-20, Chem. Phys. 461, 34 (2015).
3. Praveen Kumar, J. Ellis, and B. Poirier, Rovibrational bound states of SO 2 isotopologues. I: Total angular momentum J=0-10, Chem. Phys. 450-451, 59 (2015).