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pro vyhledávání: '"Gandhi, Dhairya"'
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 to share and reuse code and interfaces through the paradigm of multiple
Externí odkaz:
http://arxiv.org/abs/2305.12010
Electrochemical kinetics at electrode-electrolyte interfaces are crucial to understand high-rate behavior of energy storage devices. Phase transformation of electrodes is typically treated under equilibrium thermodynamic conditions, while realistic o
Externí odkaz:
http://arxiv.org/abs/2212.06952
Autor:
Gnaneshwar, Dwaraknath, Ramsundar, Bharath, Gandhi, Dhairya, Kurchin, Rachel, Viswanathan, Venkatasubramanian
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 face challenges such as training instabilities due to adversarial traini
Externí odkaz:
http://arxiv.org/abs/2203.04698
Autor:
Annevelink, Emil, Kurchin, Rachel, Muckley, Eric, Kavalsky, Lance, Hegde, Vinay I., Sulzer, Valentin, Zhu, Shang, Pu, Jiankun, Farina, David, Johnson, Matthew, Gandhi, Dhairya, Dave, Adarsh, Lin, Hongyi, Edelman, Alan, Ramsundar, Bharath, Saal, James, Rackauckas, Christopher, Shah, Viral, Meredig, Bryce, Viswanathan, Venkatasubramanian
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 transportation. In both of these areas, new electrochemical materials
Externí odkaz:
http://arxiv.org/abs/2011.04426
Autor:
Innes, Michael, Saba, Elliot, Fischer, Keno, Gandhi, Dhairya, Rudilosso, Marco Concetto, Joy, Neethu Mariya, Karmali, Tejan, Pal, Avik, Shah, Viral
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 its capabilities. We present in this paper a framework named Flux that
Externí odkaz:
http://arxiv.org/abs/1811.01457
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