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Virtual Atoms Lab

Research group in computational chemistry led by @utf at @ImperialCollegeLondon

Virtual Atoms Lab

The Virtual Atoms Lab is led by Alex Ganose at Imperial College London.

We use computational materials chemistry, data-driven approaches, and machine learning to discover new functional materials for photovoltaics, thermoelectrics, and more. We develop a suite of open-source codes to help tackle these challenges.

We are members of the Institute for Digital Molecular Design and Fabrication (DigiFAB), the Thomas Young Centre (TYC) for Materials Modelling, the Centre for Plastic Electronics (CPE), the Artificial Intelligence Network, and the Materials Project.

You can visit the research group website at


  1. website website Public

    Website for the Virtual Atoms Lab.

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  2. handbook handbook Public

    Handbook for the Virtual Atoms Lab



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