169 citations · 598 across the 9 of their papers we have counts for
9 papers
Transforming Computational Lithography with AC and AI -- Faster, More Accurate, and Energy-efficient
Saumyadip Mukhopadhyay, Kiho Yang, Kasyap Thottasserymana Vasudevan +8
From climate science to drug discovery, scientific computing demands have surged dramatically in recent years -- driven by larger datasets, more sophisticated models, and higher si…
Validation and parameterization of a novel physics-constrained neural dynamics model applied to turbulent fluid flow
Varun Shankar, Gavin D. Portwood, Arvind T. Mohan +6
In fluid physics, data-driven models to enhance or accelerate solution methods are becoming increasingly popular for many application domains, such as alternatives to turbulence cl…
Differentiable Physics: A Position Piece
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 numeri…
Closed-Loop Design of Proton Donors for Lithium-Mediated Ammonia Synthesis with Interpretable Models and Molecular Machine Learning
Dilip Krishnamurthy, Nikifar Lazouski, Michal L. Gala +2
In this work, we experimentally determined the efficacy of several classes of proton donors for lithium-mediated electrochemical nitrogen reduction in a tetrahydrofuran-based elect…
Engineering Three-Dimensional (3D) Out-of-Plane Graphene Edge Sites for Highly-Selective Two-Electron Oxygen Reduction Electrocatalysis
Daniel San Roman, Dilip Krishnamurthy, Raghav Garg +4
Selective two-electron oxygen reduction reaction (ORR) offers a promising route for hydrogen peroxide synthesis, and defective sp2 carbon-based materials are attractive, low-cost e…
Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams and Associated Reaction Pathways for Chlorine Evolution
Vaidish Sumaria, Dilip Krishnamurthy, Venkatasubramanian Viswanathan
Density functional theory calculations can be used to identify dominant reaction mechanisms. However, the dominant reaction mechanism is sensitive to choice of the exchange correla…