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@virtualatoms

Virtual Atoms Lab

Research group in computational chemistry led by @utf at @ImperialCollegeLondon
README.md

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 virtualatoms.org.

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  1. website Public

    Website for the Virtual Atoms Lab.

    JavaScript 1 1

  2. handbook Public

    Handbook for the Virtual Atoms Lab

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Repositories

Showing 4 of 4 repositories
  • AnisoNet Public

    This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crystals.

    Jupyter Notebook 11 MIT 0 0 0 Updated Mar 3, 2025
  • website Public

    Website for the Virtual Atoms Lab.

    JavaScript 1 MIT 1 0 0 Updated Feb 27, 2025
  • handbook Public

    Handbook for the Virtual Atoms Lab

    CSS 0 MIT 0 0 0 Updated Nov 23, 2023
  • .github Public
    0 0 0 0 Updated Mar 11, 2023

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