research
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08/08/2023
Constructing Custom Thermodynamics Using Deep Learning
One of the most exciting applications of AI is automated scientific disc...
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research
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08/08/2023
Explainable machine learning to enable high-throughput electrical conductivity optimization of doped conjugated polymers
The combination of high-throughput experimentation techniques and machin...
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05/15/2020
Inverse design of crystals using generalized invertible crystallographic representation
Deep learning has fostered many novel applications in materials informat...
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11/15/2018
Graph Convolutional Neural Networks for Polymers Property Prediction
A fast and accurate predictive tool for polymer properties is demanding ...
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11/15/2018
Predicting thermoelectric properties from crystal graphs and material descriptors - first application for functional materials
We introduce the use of Crystal Graph Convolutional Neural Networks (CGC...
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03/20/2018
