no code implementations • 3 Oct 2023 • Shang Zhu, Bharath Ramsundar, Emil Annevelink, Hongyi Lin, Adarsh Dave, Pin-Wen Guan, Kevin Gering, Venkatasubramanian Viswanathan
Electrolytes play a critical role in designing next-generation battery systems, by allowing efficient ion transfer, preventing charge transfer, and stabilizing electrode-electrolyte interfaces.
no code implementations • 25 Jul 2023 • Varun Shankar, Romit Maulik, Venkatasubramanian Viswanathan
Differentiable fluid simulators are increasingly demonstrating value as useful tools for developing data-driven models in computational fluid dynamics (CFD).
no code implementations • 7 Jul 2023 • Varun Shankar, Dibyajyoti Chakraborty, Venkatasubramanian Viswanathan, Romit Maulik
Deep learning is increasingly becoming a promising pathway to improving the accuracy of sub-grid scale (SGS) turbulence closure models for large eddy simulations (LES).
no code implementations • 19 May 2023 • Anant Thazhemadam, Dhairya Gandhi, Venkatasubramanian Viswanathan, Rachel C. Kurchin
Chemellia is an open-source framework for atomistic machine learning in the Julia programming language.
no code implementations • 3 May 2023 • Varun Shankar, Shivam Barwey, Zico Kolter, Romit Maulik, Venkatasubramanian Viswanathan
Graph neural networks (GNNs) have shown promise in learning unstructured mesh-based simulations of physical systems, including fluid dynamics.
no code implementations • 24 Apr 2023 • Mgcini Keith Phuthi, Archie Mingze Yao, Simon Batzner, Albert Musaelian, Boris Kozinsky, Ekin Dogus Cubuk, Venkatasubramanian Viswanathan
The properties of lithium metal are key parameters in the design of lithium ion and lithium metal batteries.
no code implementations • 13 Feb 2023 • Shivam Barwey, Varun Shankar, Venkatasubramanian Viswanathan, Romit Maulik
The goal of this work is to address two limitations in autoencoder-based models: latent space interpretability and compatibility with unstructured meshes.
no code implementations • 23 Sep 2022 • Varun Shankar, Vedant Puri, Ramesh Balakrishnan, Romit Maulik, Venkatasubramanian Viswanathan
Data-driven turbulence modeling is experiencing a surge in interest following algorithmic and hardware developments in the data sciences.
no code implementations • 6 Apr 2022 • Alexius Wadell, Matthew Guttenberg, Christopher P. Kempes, Venkatasubramanian Viswanathan
Enabling widespread electric vehicle (EV) adoption requires substantial build-out of charging infrastructure in the coming decade.
no code implementations • 7 Mar 2022 • Dwaraknath Gnaneshwar, Bharath Ramsundar, Dhairya Gandhi, Rachel Kurchin, Venkatasubramanian Viswanathan
Recent advances in generative models have made exploring design spaces easier for de novo molecule generation.
no code implementations • 23 Nov 2021 • Adarsh Dave, Jared Mitchell, Sven Burke, Hongyi Lin, Jay Whitacre, Venkatasubramanian Viswanathan
In this work, we introduce a novel workflow that couples robotics to machine-learning for efficient optimization of a non-aqueous battery electrolyte.
no code implementations • 17 Sep 2021 • Dong Zhang, Luis D. Couto, Ross Drummond, Shashank Sripad, Venkatasubramanian Viswanathan
This manuscript presents an algorithm for individual Lithium-ion (Li-ion) battery cell state of charge (SOC) estimation in a large-scale battery pack under minimal sensing, where only pack-level voltage and current are measured.
no code implementations • 14 Sep 2021 • Bharath Ramsundar, Dilip Krishnamurthy, Venkatasubramanian Viswanathan
Differentiable physics provides a new approach for modeling and understanding the physical systems by pairing the new technology of differentiable programming with classical numerical methods for physical simulation.
no code implementations • 16 Jun 2021 • Shashank Sripad, Venkatasubramanian Viswanathan
Improvements in rechargeable batteries are enabling several electric urban air mobility (UAM) aircraft designs with up to 300 miles of range with payload equivalents of up to 7 passengers.
no code implementations • 3 Nov 2020 • 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, Venkatasubramanian Viswanathan
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.
no code implementations • 18 Aug 2020 • Dilip Krishnamurthy, Nikifar Lazouski, Michal L. Gala, Karthish Manthiram, Venkatasubramanian Viswanathan
In this work, we experimentally determined the efficacy of several classes of proton donors for lithium-mediated electrochemical nitrogen reduction in a tetrahydrofuran-based electrolyte, an attractive alternative method for producing ammonia.
no code implementations • 6 Jul 2020 • Alexander Bills, Shashank Sripad, William L. Fredericks, Matthew Guttenberg, Devin Charles, Evan Frank, Venkatasubramanian Viswanathan
We use this dataset to develop a battery performance and degradation model (Cellfit) which employs physics-informed machine learning in the form of Universal Ordinary Differential Equations (U-ODE's) combined with an electrochemical cell model and degradation models which include solid electrolyte interphase (SEI) growth, lithium plating, and charge loss.
1 code implementation • 19 Mar 2020 • Victor Venturi, Holden Parks, Zeeshan Ahmad, Venkatasubramanian Viswanathan
The large-scale search for high-performing candidate 2D materials is limited to calculating a few simple descriptors, usually with first-principles density functional theory calculations.
no code implementations • 22 Oct 2019 • Adarsh Dave, Jared Mitchell, Kirthevasan Kandasamy, Sven Burke, Biswajit Paria, Barnabas Poczos, Jay Whitacre, Venkatasubramanian Viswanathan
Innovations in batteries take years to formulate and commercialize, requiring extensive experimentation during the design and optimization phases.
2 code implementations • 9 Jul 2019 • Zeeshan Ahmad, Zijian Hong, Venkatasubramanian Viswanathan
We study the dynamics of electrodeposition of a metal in contact with a liquid crystalline electrolyte.
Applied Physics Chemical Physics
no code implementations • 12 Apr 2018 • Zeeshan Ahmad, Tian Xie, Chinmay Maheshwari, Jeffrey C. Grossman, Venkatasubramanian Viswanathan
We predict over 20 mechanically anisotropic interfaces between Li metal and 6 solid electrolytes which can be used to suppress dendrite growth.