Massachusetts Institute of Technology

Research Scientist

Computational Materials Science for Energy Applications

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What is a nanostructured material's geometry with a given thermal conductivity tensor? To answer this question, we recently introduced a shape optimization methodology [A key aspect of our method is the "Transmission Interpolation Model" (TIM), a technique that hacks the transmission coefficients into a proxy for material density. For educational purposes, we also developed a Web App that solves the standard Fourier law in periodic materials. The project is funded by MIT-IBM Watson AI Lab"". Covered in MIT News.

Differentiable Solar Cell Simulator

The computational design of solar cells entails repeatedly solving the drift-diffusion model, a system of nonlinear partial differential equations. We introduced ∂PV [The solver, implemented in Python/JAX, is hosted on GitHub and can be readily run in the cloud with Google Colab. Thanks to a permissive license, any design identified with ∂PV can be freely commercialized, thus accelerating decarbonization. Project funded by MITEI. Select outlets: MIT News, IEEE Spectrum, Photonics, pv-magazine, Sean Mann's MIT News.

Modeling multiscale heat conduction

Nanoscale heat transport may be exploited for heat management and thermal energy harvesting. We developed a computational framework that solves for the *ab-initio*
phonon Boltzmann transport equation
[ *J. Heat Transfer* (2015) ,
*arXiv* (2022),
*arXiv* (2021),
*arXiv* (2020),
*J. Heat Transfer* (2018) ], implemented in the open-source code OpenBTE [
*github* ].

The code has been employed to guide measurements
[
J. *Appl. Phys.* (2021),
*Nanoscale* (2018),
*Sci. Rep.* (2017)
],
to predict the effective thermal conductivity of several porous materials [
*Int. J. Heat Mass Transf* (2022),
*Phys. Rev. B* (2017),
*Sci. Rep.* (2017),
*Appl. Phys. Lett.* (2017),
*Phys. Rev. B* (2016),
*Appl. Phys. Lett.* (2014),
*J. Comput. Electron.* (2014)
], and to benchmark reduce-order and machine-learning models [
*Phys. Rev. Res.* (2022),
*Int. J. Heat Mass Transf.* (2022)
*Phys. Rev. B* (2019)
]. Partially funded by DOE and NASA-JPL.