Jun Li

Senior Research Scientist, WR Wiley Environmental Molecular Sciences Laboratory, MSCF Visualization & User Services Send Email Work: Fax: (509) 371-6110 http://emslbios.pnl.gov/id/li_j Updated: March 26, 2007

Research Interests

• Relativistic quantum chemical studies of lanthanide and actinide compounds of environmental significance


• Ab Initio theoretical calculations of electronic structures and spectra of transition-metal complexes and clusters


• Computational modeling of nanoclusters, catalytic surfaces, and energy materials


• DFT and QM/MM theoretical calculations of biomolecular and bioinorganic systems

Awards, Honors, & Appointments

• Pacific Northwest National Laboratory (PNNL) FSD Outstanding Performance Award (2004)


• PNNL FSD Outstanding Performance Award (2003)


• PNNL FSD Outstanding Performance Award (2002)

Publications >View All Publications