Dynamic aspects of graphene deformation and fracture from approximate density functional theory Journal April, 2022
Perturbation theory and thermal transport in mass-disordered alloys: Insights from Green's function methods Journal April, 2022
Covalent narlaprevir- and boceprevir-derived hybrid inhibitors of SARS-CoV-2 main protease Journal April, 2022
Bridging microscopy with molecular dynamics and quantum simulations: an atomAI based pipeline Journal April, 2022
Experimental discovery of structure–property relationships in ferroelectric materials via active learning Journal April, 2022
Chemical preintercalation synthesis approach for the formation of new layered tungsten oxides Journal April, 2022
Ionic Conductivity Enhancement of Polymer Electrolytes by Directed Crystallization Journal April, 2022
Identifying chemically similar multiphase nanoprecipitates in compositionally complex non-equilibrium oxides via machine learning Journal April, 2022
Automated Experiment in 4D-STEM: Exploring Emergent Physics and Structural Behaviors Journal April, 2022
