Kyle Caspersen

Contact information:

Lawrence Livermore National Laboratory
7000 East Avenue, L-413
Livermore, CA 94550
phone: (925)-423-6991


  • B.S. Chemistry, University of Wisconsin La Crosse
  • Ph.D. Physical Chemistry, Iowa State University (Advisor: James Evans)
  • Post-Doctoral Research, California Institute of Technology, University of California Los Angeles, Princeton University (Advisor: Emily Carter)


My current research interests involve simulation and theory development for many different aspects of condensed matter physics. I am interested in developing  new Equations-of-State and Equation-of-State (EOS) theories for complex materials with physics that current EOS theories do not capture; for example, the EOS theory involving phase transformations (solid-solid, solid-liquid, and liquid-liquid), dissociation, complex chemistry, porous materials, or polymeric materials is not sufficiently developed  to explain new integrated experiments. In order to perform this work I use a number of computational techniques (MD, DFT, DFT-MD, etc.) to understand regions of phase space in which either experiments are difficult to perform or difficult to understand.