Showing 1–20 of 116 results
/ Date/ Name
Nov 16, 2022Machine learning in nuclear materials researchJul 20, 2022Benchmark tests of atom segmentation deep learning models with a consistent datasetFeb 6, 2023Thermophysical properties of FLiBe using moment tensor potentialsMay 24, 2023Machine Learning Prediction of Critical Cooling Rate for Metallic Glasses From Expanded Datasets and Elemental FeaturesMar 7, 2023Extracting Accurate Materials Data from Research Papers with Conversational Language Models and Prompt EngineeringMay 10, 2018First-principles investigation on diffusion mechanism of alloying elements in dilute Zr alloysJun 4, 2018Predicting the thermodynamic stability of perovskite oxides using machine learning modelsFeb 26, 2020Assessing Graph-based Deep Learning Models for Predicting Flash PointSep 5, 2021Work Function Trends and New Low Work Function Boride and Nitride Materials for Electron Emission ApplicationsSep 5, 2021Discovery and Engineering of Low Work Function Perovskite MaterialsDec 6, 2021Modified Band Alignment Method to Obtain Hybrid Functional Accuracy from Standard DFT: Application to Defects in Highly Mismatched III-V:Bi AlloysApr 4, 2017Iron Partitioning between Ferropericlase and Bridgmanite in the Earth's Lower MantleNov 14, 2017Cluster dynamics modeling of Mn-Ni-Si precipitates in ferritic-martensitic steel under irradiationJun 16, 2004First-principles prediction of redox potentials in transition-metal compounds with LDA+UJul 10, 2003Predicting Crystal Structures with Data Mining of Quantum CalculationsAug 3, 2016Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiCJul 14, 2016Ag diffusion in SiC high-energy grain boundaries: kinetic Monte Carlo study with first-principle calculationsOct 3, 2016The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusionMay 28, 2024A General Approach for Determining Applicability Domain of Machine Learning ModelsAug 26, 2023Computational Discovery of Fast Interstitial Oxygen Conductors