Tootfinder

Active-Learning Inspired Ab Initio Theory-Experiment Loop Approach for Management of Material Defects: Application to Superconducting Qubits
Sarvesh Chaudhari, Cristobal Mendez, Rushil Choudhary, Tathagata Banerjee, Maciej Olszewski, Jadrien Paustian, Jaehong Choi, Zhaslan Baraissov, Raul Hernandez, David Muller, Britton Plourde, Gregory Fuchs, Valla Fatemi, Tomas Arias

Active-Learning Inspired Ab Initio Theory-Experiment Loop Approach for Management of Material Defects: Application to Superconducting Qubits
Surface oxides are associated with two-level systems (TLSs) that degrade the performance of niobium-based superconducting quantum computing devices. To address this, we introduce a predictive framework for selecting metal capping layers that inhibit niobium oxide formation. Using DFT-calculated oxygen interstitial and vacancy energies as thermodynamic descriptors, we train a logistic regression model on a limited set of experimental outcomes to successfully predict the likelihood of oxide forma…