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5 results in Authors: Avni Singhal

Organic Chemistry

Blueprints for the Geometric Control of NHC-CDI Isomers

Craig Day, Niklas Grabicki, Daniel Chu, Allison Keys, Avni Singhal, Vyshnavi Vennelakanti, Ilia Kevlishvili, Rafael Gómez-Bombarelli, Heather Kulik, Jeremiah Johnson

Version 1 posted 20 December 2024

40

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Materials Chemistry

A Model Ensemble Approach Enables Data-Driven Property Prediction for Chemically Deconstructable Thermosets in the Low Data Regime

Yasmeen AlFaraj, Somesh Mohapatra, Peyton Shieh, Keith Husted, Douglas Ivanoff, Evan Lloyd, Julian Cooper, Yutong Dai, Avni Singhal, Jeffrey Moore, Nancy Sottos, Rafael Gomez-Bombarelli, Jeremiah Johnson

Version 1 posted 17 January 2023

749

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Materials Science

Reactive Processing of Furan-Based Monomers via Frontal Ring-Opening Metathesis Polymerization for High Performance Materials

Zhenchuang Xu, Lauren Chua, Avni Singhal, Pranav Krishnan, Jacob Lessard, Benjamin Suslick, Valerie Chen, Nancy Sottos, Rafael Gomez-Bombarelli, Jeffrey Moore

Version 1 posted 24 April 2024

382

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Materials Science

End-To-End Learning of Classical Interatomic Potentials for Benchmarking Anion Polarization Effects in Lithium Polymer Electrolytes

Pablo A. Leon, Avni Singhal, Jurgis Ruza, Jeremiah Johnson, Yang Shao-Horn, Rafael Gomez-Bombarelli

Version 2 posted 11 September 2024

375

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Theoretical and Computational Chemistry

Charting the chemical space of modular heterocyclic nucleophiles for CO₂ capture

Avni Singhal, Glen Junor, Rafael Gomez-Bombarelli

Version 1 posted 04 November 2024

320

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