3 papers
Geometry-based Discovery of Calcium Battery Cathodes Accelerated by Foundational Machine-Learned Models
Dereje Bekele Tekliye, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam
Calcium batteries (CBs) are an attractive post-Li-ion technology, offering the appeal of Ca's natural abundance and high volumetric energy density. However, practical realization o…
Exploring Multi-Transition-Metal NASICON Frameworks as High-Performance Cathodes for Sodium-Ion Batteries
Santosh Behara, Achinthya Krishna Bheemaguli, Gopalakrishnan Sai Gautam
The search for sustainable, high-performance cathodes has driven a growing interest in sodium superionic conductor (NASICON)-type phosphates for sodium-ion batteries (SIBs). To ide…
Evaluation of Foundational Machine Learned Interatomic Potentials for Migration Barrier Predictions
Achinthya Krishna Bheemaguli, Penghao Xiao, Gopalakrishnan Sai Gautam
Fast, and accurate prediction of ionic migration barriers () is crucial for designing next-generation battery materials that combine high energy density with facile ion transp…