Publications by authors named "Kristin Persson"

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Disordered Rocksalts as High-Energy and Earth-Abundant Li-Ion Cathodes.
Han-Ming Hau, Tucker Holstun, Eunryeol Lee, Bernardine L D Rinkel, Tara P Mishra, Kristin A Persson

Adv Mater· November 2025

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Crystal structure prediction with host-guided inpainting generation and foundation potentials.
Peichen Zhong, Xinzhe Dai, Bowen Deng, Gerbrand Ceder, Kristin A Persson

Mater Horiz· November 2025

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Reactivity of Cyclic and Linear Alkyl Carbonates with Reactive Oxygen Species.
Bernardine L D Rinkel, Rohith Srinivaas Mohanakrishnan, Jaeheon Lee, Kristin A Persson, Bryan D McCloskey

J Am Chem Soc· November 2025

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

J Chem Phys· November 2025

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Multigas adsorption with single-site cooperativity in a metal-organic framework.
Kurtis M Carsch, Henry Z H Jiang, Ryan A Klein, Andrew S Rosen, Peyton S Summerhill, Kristin A Persson

Science· 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, Kristin A Persson

Nat Mater· October 2025

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Isothermal solidification for high-entropy alloy synthesis.
Qiubo Zhang, Max C Gallant, Yi Chen, Zhigang Song, Yang Liu, Kristin A Persson

Nature· October 2025

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Elucidating the Effects of LiF on Lithium Metal Anodes.
Mun Sek Kim, Jingyang Wang, Wenbo Zhang, Philaphon Sayavong, Zewen Zhang, Kristin A Persson

Nano Lett· October 2025

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Correction: Atomate2: modular workflows for materials science.
Alex M Ganose, Hrushikesh Sahasrabuddhe, Mark Asta, Kevin Beck, Tathagata Biswas, Kristin A Persson

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, Kristin A Persson

Digit Discov· July 2025

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Resin-to-Resin Circularity in Chemical Recycling of Dicyclopentadiene-Based Cycloolefin Resins.
Zhen Xu, Mason L Witko, Hongqian Zheng, Julia Im, Shira Haber, Kristin A Persson

J Am Chem Soc· July 2025

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Machine learning of Al NMR electric field gradient tensors for crystalline structures from DFT.
He Sun, Shyam Dwaraknath, Handong Ling, Kristin A Persson, Sophia E Hayes

Sci Rep· July 2025

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Delineating the Impact of Diluent on High-Concentration Electrolytes for Developing High-Voltage LiNiMnO Spinel Cathode.
Jiayi Zhang, Orion Cohen, Xiuyao Lang, Boyu Wang, Stephen E Trask, Kristin A Persson

Small· June 2025

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Designing Advanced Electrolytes for High-Voltage High-Capacity Disordered Rocksalt Cathodes.
Ridwan A Ahmed, Rohith Srinivaas Mohanakrishnan, Jingyang Wang, Krishna P Koirala, Qian Zhao, Kristin Persson

Small· May 2025

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HEPOM: Using Graph Neural Networks for the Accelerated Predictions of Hydrolysis Free Energies in Different pH Conditions.
Rishabh D Guha, Santiago Vargas, Evan Walter Clark Spotte-Smith, Alexander Rizzolo Epstein, Maxwell Venetos, Kristin A Persson

J Chem Inf Model· April 2025

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Elucidating Gas Reduction Effects of Organosilicon Additives in Lithium-Ion Batteries.
Jingyang Wang, Sarah L Guillot, Monica L Usrey, Tingzheng Hou, Kristin A Persson

J Am Chem Soc· March 2025

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Evaluating Material Design Principles for Calcium-Ion Mobility in Intercalation Cathodes.
Jiyoon Kim, Dogancan Sari, Qian Chen, Gerbrand Ceder, Kristin A Persson

Chem Mater· January 2025

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A Cellular Automaton Simulation for Predicting Phase Evolution in Solid-State Reactions.
Max C Gallant, Matthew J McDermott, Bryant Li, Kristin A Persson

Chem Mater· January 2025

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Circularity in polydiketoenamine thermoplastics via control over reactive chain conformation.
Jeremy Demarteau, Alexander R Epstein, Laura J Reed, Nicodemo R Ciccia, John F Hartwig, Kristin A Persson

Sci Adv· January 2025

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Voltage Mining for (De)lithiation-Stabilized Cathodes and a Machine Learning Model for Li-Ion Cathode Voltage.
Haoming Howard Li, Qian Chen, Gerbrand Ceder, Kristin A Persson

ACS Appl Mater Interfaces· December 2024

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Mechanochemically accelerated deconstruction of chemically recyclable plastics.
Mutian Hua, Zhengxing Peng, Rishabh D Guha, Xiaoxu Ruan, Ka Chon Ng, Kristin A Persson

Sci Adv· September 2024

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Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange.
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper W Andersen, Oskar B Andersson, Kristin A Persson

Digit Discov· August 2024

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Gold-Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential.
Caitlin A McCandler, Antti Pihlajamäki, Sami Malola, Hannu Häkkinen, Kristin A Persson

ACS Nano· July 2024

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