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lvwerra authored Dec 10, 2024
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3 changes: 2 additions & 1 deletion _blog.yml
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- local: lematerial
title: "LeMaterial: an open source initiative to accelate materials discovery and research"
author: TODO
author: AlexDuvalinho
guest: true
thumbnail: /blog/assets/lematerial/thumbnail_lematerial.png
date: December 10, 2024
tags:
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2 changes: 1 addition & 1 deletion lematerial.md
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The world of materials science, at the intersection of quantum chemistry and machine learning, is brimming with opportunity — from brighter LEDs, to electro-chemical batteries, more efficient photovoltaic cells and recyclable plastics, the applications are endless. By leveraging machine learning (ML) on large, structured datasets, researchers can perform high-throughput screening and testing of new materials at unprecedented scales, significantly accelerating the discovery cycle of novel compounds with desired properties. In this paradigm, **data becomes the essential fuel powering ML models** that can guide experiments, reduce costs, and unlock breakthroughs faster than ever before.

However, **this field is hampered by** **fragmented datasets** **that vary in format, parameters, and scope, presenting the following challenges:**
However, **this field is hampered by fragmented datasets that vary in format, parameters, and scope, presenting the following challenges:**

- Dataset integration issues (eg. inconsistent formats or field definitions, incompatible calculations)
- Biases in dataset composition (for eg. Material Project's focus on oxides and battery materials)
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