840 citations · 4.2k across the 66 of their papers we have counts for
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Nonequilibrium Electrochemical Phase Maps: Beyond Butler-Volmer Kinetics
Rachel C. Kurchin, Dhairya Gandhi, Venkatasubramanian Viswanathan
Electrochemical kinetics at electrode-electrolyte interfaces are crucial to understand high-rate behavior of energy storage devices. Phase transformation of electrodes is typically…
By how much can closed-loop frameworks accelerate computational materials discovery?
Lance Kavalsky, Vinay I. Hegde, Eric Muckley +3
The implementation of automation and machine learning surrogatization within closed-loop computational workflows is an increasingly popular approach to accelerate materials discove…
Differentiable physics-enabled closure modeling for Burgers' turbulence
Varun Shankar, Vedant Puri, Ramesh Balakrishnan +2
Data-driven turbulence modeling is experiencing a surge in interest following algorithmic and hardware developments in the data sciences. We discuss an approach using the different…
Effect of disorder and doping on electronic structure and diffusion properties of LiVO
Mohammad Babar, Hasnain Hafiz, Zeeshan Ahmad +3
VO in its phase (LiVO) with excess lithium is a potential alternative to the graphite anode for lithium-ion batteries at low temperature and fast…
Score-Based Generative Models for Molecule Generation
Dwaraknath Gnaneshwar, Bharath Ramsundar, Dhairya Gandhi +2
Recent advances in generative models have made exploring design spaces easier for de novo molecule generation. However, popular generative models like GANs and normalizing flows fa…