Sabre Kais

Chemistry Purdue University, West Lafayette, IN, United States 
electronic structure and dynamics of atoms, molecules, clusters and quantum dots
"Sabre Kais"

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Raphael David Levine grad student 1989 Hebrew University
 (An Algebraic Approach to Calculate Atomic and Molecular Properties)
Dudley R. Herschbach post-doc 1989-1991 Harvard
Mark S. Child research scientist 1992 Oxford
Nicholas C. Handy research scientist 1992 Cambridge


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Stephen D. Belair grad student 2004 Purdue
Hefeng Wang grad student 2008 Purdue
Winton Moy grad student 2010 Purdue
Qi Wei grad student 2010 Purdue
Qing Xu grad student 2010 Purdue
Edwin A. Antillon grad student 2012 Purdue
Jing Zhu grad student 2012 Purdue
Anmer Daskin grad student 2014 Purdue
Ross D. Hoehn grad student 2014 Purdue
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Li J, Kais S. (2019) Entanglement classifier in chemical reactions. Science Advances. 5: eaax5283
Hoehn RD, Francisco JS, Kais S, et al. (2019) Role of Water on the Rotational Dynamics of the Organic Methylammonium Cation: A First Principles Analysis. Scientific Reports. 9: 668
Massey SC, Ting PC, Yeh SH, et al. (2019) Orientational Dynamics of Transition Dipoles and Exciton Relaxation in LH2 from Ultrafast Two-Dimensional Anisotropy. The Journal of Physical Chemistry Letters
Hu Z, Engel GS, Kais S. (2018) Double-excitation manifold's effect on exciton transfer dynamics and the efficiency of coherent light harvesting. Physical Chemistry Chemical Physics : Pccp
Xia R, Kais S. (2018) Quantum machine learning for electronic structure calculations. Nature Communications. 9: 4195
Yeh SH, Hoehn RD, Allodi MA, et al. (2018) Elucidation of near-resonance vibronic coherence lifetimes by nonadiabatic electronic-vibrational state character mixing. Proceedings of the National Academy of Sciences of the United States of America
Hu Z, Engel GS, Kais S. (2018) Connecting bright and dark states through accidental degeneracy caused by lack of symmetry. The Journal of Chemical Physics. 148: 204307
Zhong J, Carignano MA, Kais S, et al. (2018) Tuning the Stereo and Solvation Selectivity at Interfacial and Bulk Environments by Changing Solvent Polarity: the Isomerization of Glyoxal in Different Solvent Environments. Journal of the American Chemical Society
Hu Z, Engel GS, Alharbi FH, et al. (2018) Dark states and delocalization: Competing effects of quantum coherence on the efficiency of light harvesting systems. The Journal of Chemical Physics. 148: 064304
Xia R, Bian T, Kais S. (2017) Electronic Structure Calculations and the Ising Hamiltonian. The Journal of Physical Chemistry. B
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