Paul C. Redfern

Argonne National Laboratory — United States

Engineering · Physical Sciences

55h-index23.7kcitations143works0.02yr avg
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Research Topics

Advanced Battery Materials and Technologies(47), Advanced Chemical Physics Studies(42), Advancements in Battery Materials(41), Chemical Thermodynamics and Molecular Structure(20), Spectroscopy and Quantum Chemical Studies(19)

Publications143 total

Electrolyte Reactivity on the MgV<sub>2</sub>O<sub>4</sub> Cathode Surface
ACS Applied Materials & Interfaces·2023· 8 citedOpen Access
Emergent Solvation Behavior in Dual Anion Electrolytes for Zinc Ion Batteries
ECS Meeting Abstracts·2023
Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning
The Journal of Physical Chemistry A·2023· 2 citedOpen Access
Lithium superoxide-based high rate Li-Air batteries enabled by Di-iridium sulfur bridge active sites
Energy storage materials·2023· 13 citedOpen Access
Emergent solvation phenomena in non-aqueous electrolytes with multiple anions
Chem·2023· 35 citedOpen Access
A room temperature rechargeable Li <sub>2</sub> O-based lithium-air battery enabled by a solid electrolyte
Science·2023· 230 citedOpen Access
Computational Predictions of the Stability of Fluorinated Calcium Aluminate and Borate Salts
ACS Applied Materials & Interfaces·2023· 7 citedOpen Access
A KMnO<sub>4</sub>-Generated Colloidal Electrolyte for Redox Mediation and Anode Protection in a Li–Air Battery
ACS Nano·2022· 5 citedOpen Access
Novel Co‐Catalytic Activities of Solid and Liquid Phase Catalysts in High‐Rate Li‐Air Batteries
Advanced Energy Materials·2022· 18 citedOpen Access
Improving the Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning
The Journal of Physical Chemistry A·2022· 15 cited
Effects of Salt Aggregation in Perfluoroether Electrolytes
Journal of The Electrochemical Society·2022· 4 citedOpen Access
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
2021· 47 citedOpen Access
Increasing Ionic Conductivity of Poly(ethylene oxide) by Reaction with Metallic Li
Advanced Energy and Sustainability Research·2021· 31 citedOpen Access
Colmena: Scalable Machine-Learning-Based Steering of Ensemble Simulations for High Performance Computing
arXiv (Cornell University)·2021Open Access
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models
2021Open Access
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models
2021Open Access
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models
The Journal of Physical Chemistry A·2021· 21 citedOpen Access
Enhancing the performance of lithium oxygen batteries through combining redox mediating salts with a lithium protecting salt
Journal of Power Sources·2021· 27 citedOpen Access
Theoretical evidence of water serving as a promoter for lithium superoxide disproportionation in Li–O<sub>2</sub> batteries
Physical Chemistry Chemical Physics·2021· 2 citedOpen Access
Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms
The Journal of Physical Chemistry A·2020· 42 citedOpen Access
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Frequent Co-authors

Larry A. Curtiss(49), Krishnan Raghavachari(20), John A. Pople(13), Khalil Amine(9), Rajeev S. Assary(8), Jeffrey Greeley(7), Zhengcheng Zhang(7), Vitaly A. Rassolov(5), Kah Chun Lau(5), Peter Zapol(4), Štefan Vajda(3), Hsien-Hau Wang(3), Yang‐Kook Sun(3), Ujjal Das(3), Mark A. Ratner(2), Anwar G. Baboul(2), Faisal Mehmood(2), Jeffrey W. Elam(2), Michael J. Pellin(2), Libo Hu(2)