Publications by authors named "Aaron D Kaplan"

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A foundation model for atomistic materials chemistry.
Ilyes Batatia, Philipp Benner, Yuan Chiang, Alin M Elena, Dávid P Kovács, Aaron D Kaplan

J Chem Phys· November 2025

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Accelerated data-driven materials science with the Materials Project.
Matthew K Horton, Patrick Huck, Ruo Xi Yang, Jason M Munro, Shyam Dwaraknath, Aaron D Kaplan

Nat Mater· October 2025

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Correction: Atomate2: modular workflows for materials science.
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Aaron D Kaplan

Digit Discov· September 2025

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An Atomistic Study of Reactivity in Solid-State Electrolyte Interphase Formation for Li/LiPS.
Bryant Y Li, Vir Karan, Aaron D Kaplan, Mingjian Wen, Kristin A Persson

J Phys Chem C Nanomater Interfaces· September 2025

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Toward High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules.
Roberta Pascazio, Qian Chen, Haoming Howard Li, Aaron D Kaplan, Kristin A Persson

Chem Mater· August 2025

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Atomate2: modular workflows for materials science.
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Aaron D Kaplan

Digit Discov· July 2025

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Constitutive deletion of the obscurin-Ig58/59 domains induces atrial remodeling and Ca2+-based arrhythmogenesis.
Alyssa Grogan, Annie Brong, Humberto C Joca, Liron Boyman, Aaron D Kaplan

JCI Insight· January 2025

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Ryanodine receptor stabilization therapy suppresses Ca- based arrhythmias in a novel model of metabolic HFpEF.
Aaron D Kaplan, Liron Boyman, Christopher W Ward, W Jonathan Lederer, Maura Greiser

J Mol Cell Cardiol· October 2024

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How Does HF-DFT Achieve Chemical Accuracy for Water Clusters?
Aaron D Kaplan, Chandra Shahi, Raj K Sah, Pradeep Bhetwal, Bikash Kanungo

J Chem Theory Comput· July 2024

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Symmetry breaking and self-interaction correction in the chromium atom and dimer.
Rohan Maniar, Kushantha P K Withanage, Chandra Shahi, Aaron D Kaplan, John P Perdew

J Chem Phys· April 2024

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: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network.
Sudarshan Vijay, Maxwell C Venetos, Evan Walter Clark Spotte-Smith, Aaron D Kaplan, Mingjian Wen

Chem Sci· February 2024

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Ryanodine Receptor Stabilization Therapy Suppresses Ca -Based Arrhythmias in a Novel Model of Metabolic HFpEF.
Aaron D Kaplan, Liron Boyman, Christopher W Ward, W Jonathan Lederer, Maura Greiser

bioRxiv· January 2024

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Unconventional Error Cancellation Explains the Success of Hartree-Fock Density Functional Theory for Barrier Heights.
Bikash Kanungo, Aaron D Kaplan, Chandra Shahi, Vikram Gavini, John P Perdew

J Phys Chem Lett· January 2024

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Revealing quasi-excitations in the low-density homogeneous electron gas with model exchange-correlation kernels.
Aaron D Kaplan, Adrienn Ruzsinszky

J Chem Phys· December 2023

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Calcium and bicarbonate signaling pathways have pivotal, resonating roles in matching ATP production to demand.
Maura Greiser, Mariusz Karbowski, Aaron David Kaplan, Andrew Kyle Coleman, Nicolas Verhoeven

Elife· June 2023

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The Predictive Power of Exact Constraints and Appropriate Norms in Density Functional Theory.
Aaron D Kaplan, Mel Levy, John P Perdew

Annu Rev Phys Chem· April 2023

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Testing the rSCAN Density Functional for the Thermodynamic Stability of Solids with and without a van der Waals Correction.
Manish Kothakonda, Aaron D Kaplan, Eric B Isaacs, Christopher J Bartel, James W Furness

ACS Mater Au· March 2023

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Symmetry Breaking with the SCAN Density Functional Describes Strong Correlation in the Singlet Carbon Dimer.
John P Perdew, Shah Tanvir Ur Rahman Chowdhury, Chandra Shahi, Aaron D Kaplan, Duo Song

J Phys Chem A· January 2023

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Understanding Density-Driven Errors for Reaction Barrier Heights.
Aaron D Kaplan, Chandra Shahi, Pradeep Bhetwal, Raj K Sah, John P Perdew

J Chem Theory Comput· January 2023

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Construction of meta-GGA functionals through restoration of exact constraint adherence to regularized SCAN functionals.
James W Furness, Aaron D Kaplan, Jinliang Ning, John P Perdew, Jianwei Sun

J Chem Phys· January 2022

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Calcium Signaling Silencing in Atrial Fibrillation: Implications for Atrial Sodium Homeostasis.
Aaron D Kaplan, Humberto C Joca, Liron Boyman, Maura Greiser

Int J Mol Sci· September 2021

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rSCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications.
Sebastian Ehlert, Uwe Huniar, Jinliang Ning, James W Furness, Jianwei Sun, Aaron D Kaplan

J Chem Phys· February 2021

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Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories.
John P Perdew, Adrienn Ruzsinszky, Jianwei Sun, Niraj K Nepal, Aaron D Kaplan

Proc Natl Acad Sci U S A· January 2021

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Correction to "Accurate and Numerically Efficient rSCAN Meta-Generalized Gradient Approximation".
James W Furness, Aaron D Kaplan, Jinliang Ning, John P Perdew, Jianwei Sun

J Phys Chem Lett· November 2020

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Accurate and Numerically Efficient rSCAN Meta-Generalized Gradient Approximation.
James W Furness, Aaron D Kaplan, Jinliang Ning, John P Perdew, Jianwei Sun

J Phys Chem Lett· October 2020

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