Berkeley Lab

Theory and Modeling

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First-principle calculations are used to predict and provide a detailed understanding of the interactions between bulk composition, surface structure, and fundamental material properties such as ionic and electronic transport phenomena.  Further, sophisticated mathematical modeling is applied to support physical understanding to the very complex interactions of cell components.

Advanced Battery Materials Research (BMR) – Modeling

  • Modeling Advanced Electrode Materials

    Modeling of Next Generation Battery Materials, Venkat Srinivasan (ANL) Predicting and Understanding Novel Electrode Materials from First‐Principles, Kristin Persson (LBNL) First Principles Calculations of Existing and Novel Electrode Materials, Gerbrand Ceder (LBNL) First Principles Calculations of Existing and Novel Electrode Materials, Perla Balbuena (TAMU) Dendrite Growth Morphology Modeling in Liquid and Solid Electrolytes, Yue Qi […]
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