Najma Yaqoob

Background

About Najma Yaqoob

My research focuses on developing advanced energy materials for secondary batteries by doping or substituting with both transition and non-transition metal cations. The primary objective is to enhance the structural and mechanical stability, along with the ionic and electronic conductivity of these materials. To accelerate the discovery of high-performance candidates, ab initio-based methods such as Density Functional Theory (DFT), ab initio molecular dynamics (AIMD), and Machine learning force fields (MLFFs) are employed for efficient and reliable screening of a wide range of dopants. This approach minimizes the need for costly and time-consuming experimental synthesis by identifying promising materials through computational insights.