Interactions and immobilization of lanthanides with dopants in uranium-based metallic fuels Journal November, 2020
Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters Journal November, 2020
Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond Journal November, 2020
Tracking atomic structure evolution during directed electron beam induced Si-atom motion in graphene via deep machine learning Journal October, 2020
Modulating microphase separation of lamellae-forming diblock copolymers via ionic junctions Journal October, 2020
Systematic Comparison and Cross-validation of Fixed-Node Diffusion Monte Carlo and Phaseless Auxiliary-Field Quantum Monte Carlo in Solids Journal October, 2020
Chemical Robotics Enabled Exploration of Stability in Multicomponent Lead Halide Perovskites via Machine Learning Journal October, 2020
Exploration of lattice Hamiltonians for functional and structural discovery via Gaussian process-based exploration–exploitation Journal October, 2020
Metal–insulator transition tuned by oxygen vacancy migration across TiO2/VO2 interface... Journal October, 2020
