86 citations · 243 across the 10 of their papers we have counts for
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Powder X-Ray Diffraction Assisted Evolutionary Algorithm for Crystal Structure Prediction
Stefano Racioppi, Alberto Otero De la Roza, Samad Hajinazar +1
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. He…
Impact of Data Bias on Machine Learning for Crystal Compound Synthesizability Predictions
Ali Davariashtiyani, Busheng Wang, Samad Hajinazar +2
Machine learning models are susceptible to being misled by biases in training data that emphasize incidental correlations over the intended learning task. In this study, we demonst…
XtalOpt Version 13: Multi-Objective Evolutionary Search for Novel Functional Materials
Samad Hajinazar, Eva Zurek
Version 13 of XtalOpt, an evolutionary algorithm for crystal structure prediction, is now available for download from the CPC program library or the XtalOpt website, https://xtalop…