WHAT WE DO

Our approach is composed of three main components:

  • Physical Models describing processes taking place in energy storage devices and electrocatalyst systems are derived from sequential multi-scale simulations to explore properties at wide length and time scales.
  • The data generated from high-throughput physical models is then used to train Machine Learning (ML) surrogate models (SMs) to explore a vast parameter space at unprecedented speed and lower cost.
  • Experimental verification (from collaborators) of theoretical predictions and analysis to have a close-knit feedback loop of synthesis-structure-property-performance relationships.
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Computational Tools

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Electrolyte screening

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Materials Design