60 citations · 145 across the 15 of their papers we have counts for
3 papers · 1 filter
Defect-Driven Anomalous Transport in Fast-Ion Conducting Solid Electrolytes
Andrey D. Poletayev, James A. Dawson, M. Saiful Islam +1
Solid-state ionic conduction is a key enabler of electrochemical energy storage and conversion. The mechanistic connections between material processing, defect chemistry, transport…
Interpretable discovery of new semiconductors with machine learning
Hitarth Choubisa, Petar Todorović, Joao M. Pina +5
Machine learning models of materials accelerate discovery compared to ab initio methods: deep learning models now reproduce density functional theory (DFT)-calculated resul…
Correlation-Driven Charge Order at a Mott Insulator - Band Insulator Digital Interface
Rossitza Pentcheva, Warren E. Pickett
To study digital Mott insulator LaTiO3 and band insulator SrTiO3 interfaces, we apply correlated band theory (LDA+U) to (n,m) multilayers, 1<n,m<9. If the on-site repulsion on Ti i…