alloys
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General purpose Slater-Koster tight-binding library for electronic structure calculations
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Feb 1, 2024 - Python
Calculates approximate properties of alloy compositions
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Jul 19, 2023 - Python
Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self-attention mechanisms, it achieves superior performance, surpassing shallow models.
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Aug 5, 2024 - Python
NEB technique for HEAs
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Jul 30, 2023 - Python
Digital BH-loop algorithm
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Feb 13, 2024 - HTML
This repository contains relevant code and data for predicting the creep rate as a function of temperature and stress of refractory high-entropy alloys. The model is developed by Ricardo Amaral (@ricardonpa) and Adam Krajewski (@amkrajewski) and is still under development for publishing.
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Jan 27, 2025 - Python
Evolutionary algorithm for development of glassy alloy materials
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Dec 7, 2022 - Python
Digital BH-loop algorithm
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Feb 13, 2024 - HTML
A model based on DNN and CNN neural networks for predicting the Gibbs energy minimum and accelerating the exploratory analysis step in alloy creation
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Jun 25, 2023 - Jupyter Notebook
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