Publications by authors named "Karl Mueller"

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A Perspective on Quantum Computing Applications in Quantum Chemistry Using 25-100 Logical Qubits.
Yuri Alexeev, Victor S Batista, Nicholas Bauman, Luke Bertels, Daniel Claudino, Karl Mueller

J Chem Theory Comput· November 2025

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Formation, chemical evolution and solidification of the dense liquid phase of calcium (bi)carbonate.
Biao Jin, Ying Chen, Harley Pyles, Marcel D Baer, Benjamin A Legg, Karl T Mueller

Nat Mater· January 2025

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Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation.
Chi Chen, Dan Thien Nguyen, Shannon J Lee, Nathan A Baker, Ajay S Karakoti, Karl T Mueller

J Am Chem Soc· July 2024

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A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy.
Wendy J Shaw, Michelle K Kidder, Simon R Bare, Massimiliano Delferro, James R Morris, Karl T Mueller

Nat Rev Chem· May 2024

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From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries.
Ying Chen, Rasha Atwi, Dan Thien Nguyen, J David Bazak, Nathan T Hahn, Karl T Mueller

J Am Chem Soc· May 2024

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Publisher Correction: An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations.
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Karl Mueller

Nat Commun· April 2024

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An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations.
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Karl Mueller

Nat Commun· March 2024

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Understanding the Surprising Ionic Conductivity Maximum in Zn(TFSI) Water/Acetonitrile Mixture Electrolytes.
Yong Zhang, Emily Carino, Nathan T Hahn, Nigel Becknell, Julian Mars, Karl T Mueller

J Phys Chem Lett· December 2023

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A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, David B Williams-Young, Garnet Kin-Lic Chan, Karl T Mueller

J Chem Theory Comput· October 2023

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Electrolyte Reactivity on the MgVO Cathode Surface.
Heonjae Jeong, Dan-Thien Nguyen, Yingjie Yang, D Bruce Buchholz, Guennadi Evmenenko, Karl T Mueller

ACS Appl Mater Interfaces· October 2023

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Multi-Step Nucleation of a Crystalline Silicate Framework via a Structurally Precise Prenucleation Cluster.
Biao Jin, Ying Chen, Jinhui Tao, Kacper J Lachowski, Mark E Bowden, Karl T Mueller

Angew Chem Int Ed Engl· July 2023

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26-Year-Old Woman With Recurrent Upper Respiratory Infections.
Karl Mueller, Nathaniel E Wiest, Alexei Gonzalez-Estrada

Mayo Clin Proc· April 2023

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Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface.
Venkateshkumar Prabhakaran, Garvit Agarwal, Jason D Howard, Sungun Wi, Vaithiyalingam Shutthanandan, Karl T Mueller

ACS Appl Mater Interfaces· February 2023

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Understanding the Solvation-Dependent Properties of Cyclic Ether Multivalent Electrolytes Using High-Field NMR and Quantum Chemistry.
Jian Zhi Hu, Nicholas R Jaegers, Nathan T Hahn, Wenda Hu, Kee Sung Han, Karl T Mueller

JACS Au· April 2022

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An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions.
Rasha Atwi, Ying Chen, Kee Sung Han, Karl T Mueller, Vijayakumar Murugesan

Nat Comput Sci· February 2022

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Concentration-dependent ion correlations impact the electrochemical behavior of calcium battery electrolytes.
Nathan T Hahn, Julian Self, Darren M Driscoll, Naveen Dandu, Kee Sung Han, Karl T Mueller

Phys Chem Chem Phys· January 2022

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Role of a Multivalent Ion-Solvent Interaction on Restricted Mg Diffusion in Dimethoxyethane Electrolytes.
Ying Chen, Rasha Atwi, Kee Sung Han, Jaegeon Ryu, Nancy M Washton, Karl T Mueller

J Phys Chem B· November 2021

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Role of Polysulfide Anions in Solid-Electrolyte Interphase Formation at the Lithium Metal Surface in Li-S Batteries.
Kie Hankins, Venkateshkumar Prabhakaran, Sungun Wi, Vaithiyalingam Shutthanandan, Grant E Johnson, Karl T Mueller

J Phys Chem Lett· September 2021

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Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Molecular Dynamics Simulations.
Garvit Agarwal, Jason D Howard, Venkateshkumar Prabhakaran, Grant E Johnson, Vijayakumar Murugesan, Karl T Mueller

ACS Appl Mater Interfaces· August 2021

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Quantifying Species Populations in Multivalent Borohydride Electrolytes.
Nathan T Hahn, Julian Self, Kee Sung Han, Vijayakumar Murugesan, Karl T Mueller

J Phys Chem B· April 2021

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Diversity-oriented synthesis of polymer membranes with ion solvation cages.
Miranda J Baran, Mark E Carrington, Swagat Sahu, Artem Baskin, Junhua Song, Karl T Mueller

Nature· April 2021

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C-Peptide as a Therapy for Type 1 Diabetes Mellitus.
Rachel L Washburn, Karl Mueller, Gurvinder Kaur, Tanir Moreno, Naima Moustaid-Moussa

Biomedicines· March 2021

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Mg Diffusion-Induced Structural and Property Evolution in Epitaxial FeO Thin Films.
Linda W Wangoh, Zhenzhong Yang, Le Wang, Mark E Bowden, Xinmao Yin, Karl T Mueller

ACS Nano· November 2020

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Role of Solvent Rearrangement on Mg Solvation Structures in Dimethoxyethane Solutions using Multimodal NMR Analysis.
Ying Chen, Nicholas R Jaegers, Hui Wang, Kee Sung Han, Jian Zhi Hu, Karl T Mueller

J Phys Chem Lett· August 2020

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Energy storage emerging: A perspective from the Joint Center for Energy Storage Research.
Lynn Trahey, Fikile R Brushett, Nitash P Balsara, Gerbrand Ceder, Lei Cheng, Karl T Mueller

Proc Natl Acad Sci U S A· June 2020

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