Full-stack Pourbaix diagram app development for materials stability screening

Structure prototypes for high-throughput material discovery and trivially simple machine learning

Towards developing meta-GGA and hybrid Bayesian error estimation functionals

Theoretical Investigation of Materials in Electrochemical Oxygen Reduction and Evolution Reactions

Non-adiabatic energy losses in CO oxidation & electrochemistry on ruthenium dioxide

A hybrid machine-learning model for accurate prediction of formation energies

Interfacial Structure and Electrolyte Effects in Electrochemical Catalysis

Accelerating Material Discovery using a Machine Learning Surrogate Model