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Rajeev Surendran Assary

Group Leader/Scientist

Argonne National Laboratory

United States

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Professors in United States

Articles (20)

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Collaborators (5)

Álvaro Vázquez-Mayagoitia

Argonne National Laboratory

UNITED STATES

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Christopher Arges

Associate Professor

Pennsylvania State University

UNITED STATES

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Chi Thang Nguyen

Group Leader

Leibniz Institute for Solid State and Materials Research

GERMANY

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Robert Warburton

Case Western Reserve University

UNITED STATES

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Philippe Sautet

University of California

UNITED STATES

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Rajeev Surendran Assary

Research Interests

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Articles (20)

Redox potential prediction of Fe(II)/Fe(II) complexes: a density functional theory and graph neural network approach

Molecular Design Strategies for High‐Voltage Organic Cathodes

Correction: AI-driven innovation for organics in energy storage materials: Recent advances and near-term research opportunities

The ballad of LLM agents: philosophical reasoning for chemistry

AI-driven innovation for organics in energy storage materials: Recent advances and near-term research opportunities

Bias-modulated atomic layer deposition of zinc oxide: Insights into precursor-surface interactions for zinc oxide films

Accelerated hydrogen peroxide production in sonicated emulsive water microdroplets using short-chain alcohols as interfacial additives

Discovery of hydrogen storage molecules using large language models and machine learning

From machine learning to chemical insight: Darwinian chance and the stability of charge carriers in flow batteries

Harnessing ketones as hydrogen acceptors for atom-efficient upgrading of oxygenates to fuels over H/ZSM-5

Molecular insights into CO2-to-bicarbonate transformation in functionalized anion exchange ionomers for electrochemical separations

Low-Temperature Direct Oxidation of Propane to Propylene Oxide Using Supported Subnanometer Cu Clusters

A Unique Case of the “Goldilocks Rule” in Solid-State Electrolytes: Two Are Good, Four Are Too Many

Ru:Al2O3 Resistive Coatings Fabricated by Atomic Layer Deposition for Application in Microchannel Plates

A Comparison of Electronic Structure Methods for Predicting the Hydrogenation Energies of Candidate Molecules for Hydrogen Storage

Automation-Accelerated Electrolyte Design Mitigates Solubility Competition between Redox-Active Molecules and Supporting Salts

Alizarin Multilayers Adsorbed onto Glassy Carbon Electrodes for Electrochemical Sequestration of Manganese, Sodium, and Lithium Cations

Molecular-Level Insights into the Reaction Mechanisms of Reductive Etherification for the Production of Synthetic Biofuels

Accurate Dehydrogenation Enthalpies Dataset for Liquid Organic Hydrogen Carriers

A comparative computational and scanning electrochemical microscopy study of factors influencing electron transfer at the hydrogenated and pristine graphite – propylene carbonate electrochemical interface

Collaborators (5)

Álvaro Vázquez-Mayagoitia

Christopher Arges

Chi Thang Nguyen

Robert Warburton

Philippe Sautet

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