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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 materials 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, 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 260 68

  2. text-mined-synthesis_public text-mined-synthesis_public Public

    Codes for text-mined solid-state reactions dataset

    Python 68 19

  3. smol smol Public

    Statistical Mechanics on Lattices

    Python 66 15

  4. sparse-lm sparse-lm Public

    Sparse Linear Regression Models

    Python 15 7

  5. LimeSoup LimeSoup Public

    LimeSoup is a package to parse HTML or XML papers from different publishers.

    Python 19 7

  6. text-mined-solution-synthesis_public text-mined-solution-synthesis_public Public

    Jupyter Notebook 16 3

Repositories

Showing 10 of 30 repositories
  • smol Public

    Statistical Mechanics on Lattices

    CederGroupHub/smol’s past year of commit activity
    Python 66 15 18 1 Updated Dec 18, 2024
  • WFacer Public

    Modulated automation of cluster expansion based on atomate2 and Jobflow

    CederGroupHub/WFacer’s past year of commit activity
    Python 11 1 2 13 Updated Dec 14, 2024
  • 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 260 68 3 0 Updated Nov 16, 2024
  • alab_control Public
    CederGroupHub/alab_control’s past year of commit activity
    Python 4 MIT 2 56 0 Updated Nov 16, 2024
  • sparse-lm Public

    Sparse Linear Regression Models

    CederGroupHub/sparse-lm’s past year of commit activity
    Python 15 7 2 3 Updated Nov 4, 2024
  • alabos Public

    AlabOS: Managing the workflows in the Autonomous lab

    CederGroupHub/alabos’s past year of commit activity
    Python 36 MIT 8 21 0 Updated Oct 22, 2024
  • synthesis-action-retriever Public

    Annotated dataset and scripts for automatic retrieval of materials synthesis actions.

    CederGroupHub/synthesis-action-retriever’s past year of commit activity
    Python 4 2 1 0 Updated Mar 18, 2024
  • MatEntityRecognition Public

    Extract materials from paragraphs and recognize the targets and precursors

    CederGroupHub/MatEntityRecognition’s past year of commit activity
    Python 5 3 0 2 Updated Mar 13, 2024
  • CederGroupHub/MaterialAmountExtractor’s past year of commit activity
    Python 0 0 0 0 Updated Mar 13, 2024
  • text2chem Public

    RegEx-based text parser that converts chemical terms and material entities into chemical datastructure.

    CederGroupHub/text2chem’s past year of commit activity
    Python 3 MIT 5 1 0 Updated Feb 4, 2024