Publications

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2022
 		AutoMat: Accelerated Computational Electrochemical systems Discovery.
Emil Annevelink, Rachel Kurchin, Eric Muckley, Lance Kavalsky, Vinay I. Hegde, Valentin Sulzer, Shang Zhu, Jiankun Pu, David Farina, Matthew Johnson, Dhairya Gandhi, Adarsh Dave, Hongyi Lin, Alan Edelman, Bharath Ramsundar, James Saal, Christopher Rackauckas, Viral Shah, Bryce Meredig, and Venkatasubramanian Viswanathan.
arXiv preprint.
Robust Analysis of 4e- vs 6e- reduction of Nitrogen on metal surfaces and single atom alloys.
Lydia Maria Tsiverioti, Lance Kavalsky, and Venkatasubramanian Viswanathan.
The Journal of Physical Chemistry C.
2021
 		How Machine Learning Will Revolutionize Electrochemical Sciences.
Aashutosh Mistry, Alejandro A. Franco, Samuel J. Cooper, Scott A. Roberts, and Venkatasubramanian Viswanathan.
ACS Energy Letters.
2020
 		Marcus-Hush-Chidsey kinetics at electrode-electrolyte interfaces.
Rachel Kurchin and Venkatasubramanian Viswanathan.
The Journal of Chemical Physics 153(13).
Robust active site design of single atom catalysts for electrochemical ammonia synthesis.
Lance Kavalsky and Venkatasubramanian Viswanathan.
The Journal of Physical Chemistry C.

This project is funded by ARPA-E and led by a team from the Mechanical Engineering Department at Carnegie Mellon University, the Mathematics Department at the Massachusetts Institute of Technology, Julia Computing, Inc., and Citrine Informatics.