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Welcome to CederGroupHub 👋

The Computational and Experimental Design of Emerging materials Research group (CEDER) is a part of the Department of Materials Science and Engineering at UC Berkeley and the Materials Sciences Division at Lawrence Berkeley National Laboratory.

Our goal is to better design high-quality functional materials by mapping the relationship between material structures and their physical and chemical properties through a combined theoretical and experimental approach. Our group integrates all the aspects of materials research from developing the fundamental understanding to the design, synthesis and testing of new bulk and nano materials. We combine computational approaches in quantum mechanics, solid state physics and statistical mechanics, with selected experiments into a complimentary research strategy to investigate materials in the energy field. We are one of the premier groups in high-throughput computing and the Materials Genome and contribute extensively to the Materials Project.

Applied areas of interest are in energy storage based on Li, Na, and multi-valent ion intercalation, thermoelectrics, and other functional materials. On the fundamental side, the group develops expertise in electronic structure, ab-initio thermodynamics of bulk and nano systems, diffusion, electron transport, structure prediction, machine learning and data mining. We are also integrating these methods with newly developed tools for autonomous experimentation and AI-enabled data interpretation. Over the last decade, we have successfully performed many research projects supported by various companies and governments.

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  1. chgnet chgnet Public

    Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

    Python 411 101

  2. smol smol Public

    Statistical Mechanics on Lattices

    Python 99 19

  3. AutoEMX AutoEMX Public

    Automated Electron Microscopy X-ray spectroscopy for compositional characterization of materials. Currently supporting SEM EDS.

    Python 10 2

  4. alabos alabos Public

    AlabOS: Managing the workflows in the Autonomous lab

    Python 54 10

  5. dara dara Public

    DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement

    HTML 58 21

  6. CASCADE CASCADE Public

    Cumulative Agentic Skill Creation through Autonomous Development and Evolution

    Python 31 5

Repositories

Showing 10 of 37 repositories
  • alabos Public

    AlabOS: Managing the workflows in the Autonomous lab

    CederGroupHub/alabos's past year of commit activity
    Python 54 MIT 10 24 0 Updated Sep 19, 2026
  • alab_control Public
    CederGroupHub/alab_control's past year of commit activity
    Python 9 MIT 3 56 0 Updated Sep 19, 2026
  • smol Public

    Statistical Mechanics on Lattices

    CederGroupHub/smol's past year of commit activity
    Python 99 19 16 8 Updated Sep 18, 2026
  • AutoEMX Public

    Automated Electron Microscopy X-ray spectroscopy for compositional characterization of materials. Currently supporting SEM EDS.

    CederGroupHub/AutoEMX's past year of commit activity
    Python 10 2 0 0 Updated Sep 16, 2026
  • chgnet Public

    Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov

    CederGroupHub/chgnet's past year of commit activity
    Python 411 101 4 0 Updated Sep 15, 2026
  • sparse-lm Public

    Sparse Linear Regression Models

    CederGroupHub/sparse-lm's past year of commit activity
    Python 20 7 2 3 Updated Sep 14, 2026
  • WFacer Public

    Modulated automation of cluster expansion based on atomate2 and Jobflow

    CederGroupHub/WFacer's past year of commit activity
    Python 12 2 3 13 Updated Sep 14, 2026
  • MultiTimescaleKMC Public

    Performs KMC simulations to obtain DELTA structures from a DRX starting point using smol. The distinct timescales of Mn and Li hops are worked around by implementing canonical montecarlo between steps.

    CederGroupHub/MultiTimescaleKMC's past year of commit activity
    Python 0 0 0 0 Updated Sep 8, 2026
  • dara Public

    DARA: Data-driven Automated Rietveld Analysis for powder XRD phase search and refinement

    CederGroupHub/dara's past year of commit activity
    HTML 58 MIT 21 5 0 Updated Jul 31, 2026
  • CASCADE Public

    Cumulative Agentic Skill Creation through Autonomous Development and Evolution

    CederGroupHub/CASCADE's past year of commit activity
    Python 31 MIT 5 0 0 Updated Jul 28, 2026

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