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Jing Su

Jing Su

Phone (505) 667-7201


Theoretical actinide chemisry


  • 2006-2011       Ph.D. in Theoretical Chemistry, Department of Chemistry, Tsinghua University, Advisor: Prof. Jun Li
  • 2009.01-06      Visiting Student Researcher, Technische Universität München, Germany, Advisor: Prof. Notker Rösch
  • 2002-2006        B.S. in Chemistry, Department of Chemistry, University of Science and Technology of China

LANL Positions

10.2015-Present    Postdoctoral Researcher, Theoretical Division, T-1 group, LANL, 
                                Advisor: Dr. Enrique Batista & Dr. Ping Yang


  • 2015  Seaborg Fellowship, Los Alamos National Laboratory
  • 2013  Excellent Postdoctoral Researcher Award, Tsinghua University 
  • 2011  Lu Jiaxi Outstanding Graduate Student Award, Lu Jiaxi Education Foundation


  1. Su Jing, Li WL, Lopez GV, Jian T, Gao GJ, Li WL, Schwarz WHE, Wang LS, Li J. “Probing the Electronic Structure and Chemical Bonding of Mono-Uranium Oxides with Different Oxidation States: UOx and UOx (x=3-5)”, J Phys Chem A, 2016, 120, 1084.
  2. Su Jing, Hu S, Huang W, Zhou M, Li J. “On the Oxidation States of metal elements in MO3 (M=V, Nb, Ta, Db, Pr. Gd, Pa) Anions”, Sci China Chem, 2016, 59, 442.
  3. Li WL, Liu HT, Jian T, Lopez GV, Piazza, ZA, Huang DL, Chen TT, Su Jing, Yang P, Chen X, Wang LS, Li J. “Bond-bending Isomerization of Au2I3: Competition between covalent bonding and aurophilicity”, Chem Sci, 2016, 7, 475.
  4. Roy SK, Jian T, Lopez GV, Li WL, Su Jing, Bross DH, Peterson KA, Wang LS, Li J. “A Combined Photoelectron Spectroscopy and Relativistic ab initio Studies of the Electronics Structures of UFO and UFO”, J Chem Phys, 2016, 144, 084309.
  5.  Su Jing, Dau PD, Liu HT, Huang DL, Wei F, Schwarz WHE, Li J, Wang LS. “Photoelectron Spectroscopy and Theoretical Studies of Gaseous Uranium Hexachlorides in Different Oxidation States: UCl6q (q = 0−2)”, J Chem Phys, 2015, 142, 134308.
  6. Li YZ, Gong Y, Zhou XJ, Su Jing, Li J, Zhou MF, "Infrared Spectroscopic and Theoretical Study of the Reactions of Cerium Atoms with Methanol in Solid Argon", J Mol Spectrosc, 2015, 310, 50.
  7. Wang G, Zhou M, Goettel JT, Schrobilgen GJ, Su Jing, Li J, Schlöder T, Riedel S. “Identification of an iridium-containing compound with a formal oxidation state of IX”, Nature, 2014, 514, 475.
  8. Su Jing, Wang ZM, Pan DQ, Li J, "Excited States and Luminescent Properties of UO2F2 and Its Solvated Complexes in Aqueous Solution", Inorg Chem, 2014, 53, 7340.
  9. Wang DQ, Su Jing, Wu JY, Li J, Chai ZF, "Advances in computational actinide chemistry in China", Radiochim Acta, 2014, 102(1-2), 13. (Invited paper).
  10. Li WLa, Su Jinga, Jian T, Lopez GV, Hu HS, Cao GJ, Li J, Wang LS, "Strong electron correlation in UO2: A photoelectron spectroscopy and relativistic quantum chemistry study", J Chem Phys, 2014, 140, 094306. (aco-first author).
  11. Su Jing, Dau PD, Xu CF, Huang DL, Liu HT, Wei F, Wang LS, Li J. "A Joint Photoelectron Spectroscopy and Theoretical Study on the Electronic Structure of UCl5 and UCl5", Chem Asian J, 2013, 8, 2489. (inside cover).
  12. Su Jing, Dau PD, Qiu YH, Liu HT, Xu CF, Huang DL, Wang LS, Li J, "Probing the Electronic Structure and Chemical Bonding in Tricoordinate Uranyl Complexes UO2X3 (X = F, Cl, Br, I): Competition between Coulomb Repulsion and U–X Bonding", Inorg Chem, 2013, 52, 6617.
  13. Su Jing, Xu WH, Xu CF, Schwarz WHE, Li J. "Theoretical Studies on the Photoelectron and Absorption Spectra of MnO4 and TcO4", Inorg Chem, 2013, 52, 9867. 
  14. Li Y, Su Jing, Mitchell E, Zhang GQ, Li J. "Photocatalysis with visible-light-active uranyl complexes", Sci China: Chem, 2013, 56, 1671.
  15. Huang W, Xu WH, Su Jing, Schwarz WHE, Li J, "Oxidation States, Geometries, and Electronic Structures of Plutonium Tetroxide PuO4 Isomers: Is Octavalent Pu Viable?", Inorg Chem, 2013, 52, 14237.
  16. Li WL, Hu HS, Jian T, Lopez GV, Su Jing, Li J, Wang LS, "Probing the electronic structure of low oxidation-state uranium fluoride molecules UFx (x=2-4)" , J Chem Phys, 2013, 139, 244303.
  17. Su Jing, Chen G, Li J. Theoretical Radiochemistry. In Development Strategy of Chinese Disciplines: Radiochemistry; Chinese Academy of Sciences, Eds. Beijing: Science Press, 2013, Chapter 5, pp 127-145. (Book Chapter)
  18.  Xu CF, Su Jing*, Xu X, Li J*. "Theoretical studies on the complexation of uranyl with typical carboxylate and amidoximate ligands", Sci China: Chem, 2013, 56, 1525 (co-corresponding author, invited paper).
  19. Su Jing, Schwarz WHE, Li J. “Electronic Spectra and Excited States of Neptunyl and Its [NpO2Cl4]2− Complex”, Inorg Chem, 2012, 51, 3231.
  20. Su Jing, Wei F, Schwarz WHE, Li J. “Deduction of Bond Length Changes of Symmetric Molecules from Experimental Vibrational Progressions, Including a Topological Mass Factor”, J Phys Chem A, 2012, 116, 12299.
  21. Dau PD, Su Jing, Liu HT, Liu JB, Huang DL, Li J, Wang LS. “Observation and investigation of the uranyl tetrafluoride dianion (UO2F42-) and its solvation complexes with water and acetonitrile”, Chem Sci, 2012, 3, 1137.
  22. Dau PD, Su Jing, Liu HT, Huang DL, Li J, Wang LS. “Photoelectron spectroscopy and the electronic structure of the uranyl tetrachloride dianion: UO2Cl42− ”, J Chem Phys, 2012, 137, 064315.
  23. Dau PD, Su Jing, Liu HT, Huang DL, Li J, Wang LS. “Photoelectron spectroscopy and theoretical studies of UF5 and UF6 ”, J Chem Phys, 2012, 136, 194304.
  24. Su Jing, Wang YL, Wei F, Schwarz WHE, Li J. “Theoretical study of electronic structure and luminescence spectra of UO2Cl2 in Ar matrix”, J Chem Theory Comput, 2011, 7, 3293.
  25. Su Jing, Zhang K, Schwarz WHE, Li J. “Uranyl-glycine-water complexes in solution: comprehensive computational modeling of coordination geometries, stabilization energies, and luminescence properties”, Inorg Chem, 2011, 50, 2082.
  26. Su Jing, Li J. Theoretical Studies on fluorescence Spectra of Actinide Complexes. Prog Chem, 2011, 23, 1329. (invited review)
  27. Wang G, Su Jing, Gong Y, Zhou MF, Li J. “Chemistry on single atoms: spontaneous hydrogen production from reactions of transition-metal atoms with methanol at cryogenic temperatures”, Angew Chem Int Ed, 2010, 49, 1302. (Highlighted by Nature Chemistry)
  28. Zhao YY, Su Jing, Gong Y, Li J, Zhou MF. “Noble-gas-induced disproportionation reactions: facile superoxo-to-peroxo conversion on chromium dioxide”, J Phys Chem A, 2008, 112, 8606.