Skip to main content

Nannan Shan

Nannan Shan's Profile Photo

Senior Computational Scientist

Google Scholar LinkedIn

Prior to joining the ITaP Research Computing team in 2022, Nannan's research area was utilizing both first-principles-based simulations (e.g. DFT and ab initio MD) and experiments to accelerate the functional materials discovery and innovation in the fields of surface science, catalysis and energy production and storage.

Equipped with broad scientific knowledge and hands-on experience in Chemistry, Chemical Engineering and Materials Science, Nannan is devoting her passion to supporting users of RCAC community clusters and XSEDE Anvil cluster. She dedicates herself to advancing the scientific research through high performance computing (HPC) techniques with scientists at Purdue and nationwide institutions.


  • Ph.D., Chemical Engineering, Kansas State University (2019)
  • M.Sc., Chemical Engineering, Beijing University of Chemical Technology, China (2013)
  • B.Sc., Applied Chemistry, Qingdao Agriculture University, China (2010)

Work Experience

  • Sr. Computational Scientist, RCAC Research Computing, Purdue University (2022-present)
  • Postdoctoral Associate, Department of Chemical Engineering, University of Illinois at Chicago (2022)
  • Postdoctoral Scientist, Materials Science Division, Argonne National Laboratory (2019-2021)

Fun Facts about Nannan

  • Nannan is working remotely in great Chicago area (one hour behind Purdue local time).
  • Nannan likes to bake cookies and cakes (4.5 stars review from her family).