TY - RPRT TI - Modeling Single-Crystal Battery Materials: From Fundamental Understanding to Performance Evaluation AU - Yuan, Suyue [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] AU - Weitzner, Stephen E. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000292785073) AU - Jeong, Wonseok [National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)] AU - Zhang, Shenli [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); San Jose State Univ., CA (United States)] (ORCID:0000000199079967) AU - Wang, Bo [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Pennsylvania State Univ., University Park, PA (United States)] (ORCID:0000000331465559) AU - Feng, Longsheng [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Wayne State Univ., Detroit, MI (United States)] AU - Kaufman, Jonas L. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000208149462) AU - Kim, Kwangnam [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000311491733) AU - Qi, Yue [Brown Univ., Providence, RI (United States)] (ORCID:0000000153311193) AU - Wan, Liwen F. [Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)] (ORCID:0000000253910804) PY - 2026 DO - 10.1021/acs.chemrev.5c00360 UR - https://www.osti.gov/biblio/3012089 ID - 3012089 ER -