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aykol/README.md

Hello! I am currently a Research Scientist at Google DeepMind.

Previously, I led a Data Science team at Rivian, focusing on ML & analytics for batteries. Prior to Rivian, I spent a little over 4 years at Toyota Research Institute (TRI) as a researcher.

Most of my recent published work is centered on combining machine learning with physics and chemistry to accelerate R&D. Among a few, these two deserve the spotlight as open-source Python libraries:

🚀 github.com/TRI-AMDD/CAMD: an end-to-end autonomous computational platform for closed-loop optimization. It was the Bayesian optimization & workflow engine behind a few papers: 1, 2, 3.

🚀 github.com/TRI-AMDD/piro: a recommendation system that combines physics (of nucleation) with ML-inspired approximations to find feasible synthesis routes for compounds. Check out this paper to learn more.

🤔 My research & intellectual interests these days cover Bayesian & closed-loop optimization methods, physics-informed ML algorithms, and on the materials side predictive synthesis and discovery. I'm also fascinated by network science as a field.

⚡ Fun fact: Looks like I get to update this github account every few years!

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  1. CAMD CAMD Public

    Forked from TRI-AMDD/CAMD

    Agent-based sequential learning software for materials discovery

    Python

  2. piro piro Public

    Forked from TRI-AMDD/piro

    Software for evaluating pareto-optimal synthesis pathways

    Jupyter Notebook

  3. PyRank PyRank Public

    A python package for rank aggregation methods applied to materials design and selection

    Python 2

  4. MPWorks MPWorks Public

    Forked from materialsproject/MPWorks

    merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

    Python 1

  5. materialsproject/mpmorph materialsproject/mpmorph Public

    MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the M…

    Python 64 31