3 papers
cond-mat.mtrl-sci2025
Chemical Foundation Model Guided Design of High Ionic Conductivity Electrolyte Formulations
Murtaza Zohair, Vidushi Sharma, Eduardo A. Soares +6
Designing optimal formulations is a major challenge in developing electrolytes for the next generation of rechargeable batteries due to the vast combinatorial design space and comp…
quant-ph2025
Scaling active spaces in simulations of surface reactions through sample-based quantum diagonalization
Marco Antonio Barroca, Tanvi Gujarati, Vidushi Sharma +6
Quantum-chemical simulations are essential for predicting energies of chemical reactions. Accurately solving the many-body Schrödinger equation for reagent and product states of mo…
cs.LG2024
Improving Electrolyte Performance for Target Cathode Loading Using Interpretable Data-Driven Approach
Vidushi Sharma, Andy Tek, Khanh Nguyen +4
Higher loading of active electrode materials is desired in batteries, especially those based on conversion reactions, for enhanced energy density and cost efficiency. However, incr…