39 citations · 213 across the 14 of their papers we have counts for
4 papers · 1 filter
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance
Vidushi Sharma, Maxwell Giammona, Dmitry Zubarev +5
Advanced computational methods are being actively sought for addressing the challenges associated with discovery and development of new combinatorial material such as formulations.…
Transferable and Robust Machine Learning Model for Predicting Stability of Si Anodes for Multivalent Cation Batteries
Joy Datta, Dibakar Datta, Vidushi Sharma
Data-driven methodology has become a key tool in computationally predicting material properties. Currently, these techniques are priced high due to computational requirements for g…
Effect of Graphene Interface on Potassiation in a Graphene- Selenium Heterostructure Cathode for Potassium-ion Batteries
Vidushi Sharma, Dibakar Datta
Selenium (Se) cathodes are an exciting emerging high energy density storage system for Potassium ion batteries(KIB), where potassiation reactions are less understood. Here, we pres…
Stochastic and Mixed Density Functional Theory within the projector augmented wave formalism for the simulation of warm dense matter
Vidushi Sharma, Lee A. Collins, Alexander J. White
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in…