Liwen "Sabrina" Wan

Contact information:

Lawrence Livermore National Laboratory
7000 East Avenue, L-413
Livermore, CA 94550
phone:  925-422-3490

Google Scholar profile


  • Ph.D. in Material Sciences and Engineering, Iowa State University, 2013
  • B.S. in Material Sciences and Engineering, Chongqing University, China, 2008

Research interests:

    My current research focuses on using computational approaches (density functional theory, ab initio and classical molecular dynamics) to probe chemical reactions or processes occurred at solid-solid and solid-liquid interfaces that are relevant for energy storage and conversion applications. I am also interested in directly simulating experimental observables such as X-ray absorption, X-ray photoelectron and vibrational spectra and provide quantitative interpretation to the experimental results.

    Current projects include:

  • Chemical processes involved in (de)hydrogenation of complex metal hydride for hydrogen storage applications
  • Ion and charge transport at the electrolyte/electrode interfaces in batteries
  • Gas adsorption in metal organic frameworks

Selected recent publications: