127 citations · 136 across the 6 of their papers we have counts for
6 papers
Active Learning Enhanced Surrogate Modeling of Jet Engines in JuliaSim
Anas Abdelrehim, Dhairya Gandhi, Sharan Yalburgi +3
Surrogate models are effective tools for accelerated design of complex systems. The result of a design optimization procedure using surrogate models can be used to initialize an op…
Chemellia: An Ecosystem for Atomistic Scientific Machine Learning
Anant Thazhemadam, Dhairya Gandhi, Venkatasubramanian Viswanathan +1
Chemellia is an open-source framework for atomistic machine learning in the Julia programming language. The framework takes advantage of Julia's high speed as well as the ability t…
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…
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…
AutoMat: Accelerated Computational Electrochemical systems Discovery
Emil Annevelink, Rachel Kurchin, Eric Muckley +17
Large-scale electrification is vital to addressing the climate crisis, but several scientific and technological challenges remain to fully electrify both the chemical industry and…
Fashionable Modelling with Flux
Michael Innes, Elliot Saba, Keno Fischer +6
Machine learning as a discipline has seen an incredible surge of interest in recent years due in large part to a perfect storm of new theory, superior tooling, renewed interest in…