549 citations · 1.7k across the 44 of their papers we have counts for
9 papers · 1 filter
Reproducibility in Computational Materials Science: Lessons from 'A General-Purpose Machine Learning Framework for Predicting Properties of Inorganic Materials'
Daniel Persaud, Logan Ward, Jason Hattrick-Simpers
The integration of machine learning techniques in materials discovery has become prominent in materials science research and has been accompanied by an increasing trend towards ope…
Multi-principal element alloy discovery using directed energy deposition and machine learning
Phalgun Nelaturu, Jason R. Hattrick-Simpers, Michael Moorehead +4
Multi-principal element alloys open large composition spaces for alloy development. The large compositional space necessitates rapid synthesis and characterization to identify prom…
JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods
Kamal Choudhary, Daniel Wines, Kangming Li +35
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experiment…
AutoEIS: automated Bayesian model selection and analysis for electrochemical impedance spectroscopy
Runze Zhang, Robert Black, Debashish Sur +5
Electrochemical Impedance Spectroscopy (EIS) is a powerful tool for electrochemical analysis; however, its data can be challenging to interpret. Here, we introduce a new open-sourc…
On the redundancy in large material datasets: efficient and robust learning with less data
Kangming Li, Daniel Persaud, Kamal Choudhary +3
Extensive efforts to gather materials data have largely overlooked potential data redundancy. In this study, we present evidence of a significant degree of redundancy across multip…
Why is EXAFS analysis for multicomponent metals so hard? Challenges and opportunities for measuring ordering in complex concentrated alloys using x-ray absorption spectroscopy
Howie Joress, Bruce Ravel, Elaf Anber +5
Short range order is a critical driver of properties (e.g. corrosion resistance and tensile strength) in multicomponent alloys such as complex concentrated alloys (CCAs). Extended…
A High Throughput Aqueous Passivation Testing Methodology for Compositionally Complex Alloys using Scanning Droplet Cell
Debashish Sur, Howie Joress, Jason Hattrick-Simpers +1
Compositionally complex alloy systems containing more than five principal elements allow exploring a wide range of compositions, processing, and structural variables with the hope…
An experimental high-throughput to high-fidelity study towards discovering Al-Cr containing corrosion-resistant compositionally complex alloys
Debashish Sur, Emily F. Holcombe, William H. Blades +9
Compositionally complex alloys hold the promise of simultaneously attaining superior combinations of properties, such as corrosion resistance, light-weighting, and strength. Achiev…
Rapid Reconstruction of 3-D Membrane Pore Structure Using a Single 2-D Micrograph
Hooman Chamani, Arash Rabbani, Kaitlyn P. Russell +4
Conventional 2-D scanning electron microscopy (SEM) is commonly used to rapidly and qualitatively evaluate membrane pore structure. Quantitative 2-D analyses of pore sizes can be e…