Karl T Mueller (Karl Mueller)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 36

Top Topics

Molecular Dynamics Simulations

Crystal Structure

Top Venues

Nature communications

ACS applied materials & interfaces

Journal of the American Chemical Society

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Wendy J Shaw, Michelle K Kidder, Simon R Bare, Massimiliano Delferro, James R Morris, Francesca M Toma, Sanjaya D Senanayake, Tom S Autrey, Elizabeth J Biddinger, Shannon W Boettcher, Mark E Bowden, Phillip F Britt, Robert C Brown, R Morris Bullock, Jingguang G Chen, Claus Daniel, Peter K Dorhout, Rebecca A Efroymson, Kelly J Gaffney, Laura Gagliardi, Aaron S Harper, David J Heldebrant, Oana R Luca, Maxim Lyubovsky, Jonathan L Male, Daniel J Miller, Tanya Prozorov, Robert Rallo, Rachita Rana, Robert M Rioux, Aaron D Sadow, Joshua A Schaidle, Lisa A Schulte, William A Tarpeh, Dionisios G Vlachos, Bryan D Vogt, Robert S Weber, Jenny Y Yang, Elke Arenholz, Brett A Helms, Wenyu Huang, James L Jordahl, Canan Karakaya, Kourosh Cyrus Kian, Jotheeswari Kothandaraman, Johannes Lercher, Ping Liu, Deepika Malhotra, Karl T Mueller, Casey P O'Brien, Robert M Palomino, Long Qi, José A Rodríguez, Roger Rousseau, Jake C Russell, Michele L Sarazen, David S Sholl, Emily A Smith, Michaela Burke Stevens, Yogesh Surendranath, Christopher J Tassone, Ba Tran, William Tumas, Krista S Walton
A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy. Nature reviews. Chemistry (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
Publisher Correction: An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Ying Chen, Rasha Atwi, Dan Thien Nguyen, J David Bazak, Nathan T Hahn, Jaegeon Ryu, Jesse A Sears, Kee Sung Han, Minyung Song, Zheng Li, Abhijeet J Karkamkar, Jian Zhi Hu, Kevin R Zavadil, Nav Nidhi Rajput, Karl T Mueller, Vijayakumar Murugesan
From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries. Journal of the American Chemical Society (2024)
Chi Chen, Dan Thien Nguyen, Shannon J Lee, Nathan A Baker, Ajay S Karakoti, Linda Lauw, Craig Owen, Karl T Mueller, Brian A Bilodeau, Vijayakumar Murugesan, Matthias Troyer
Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation. Journal of the American Chemical Society 146 (29) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Ying Chen, Rasha Atwi, Dan Thien Nguyen, J David Bazak, Nathan T Hahn, Jaegeon Ryu, Jesse A Sears, Kee Sung Han, Minyung Song, Zheng Li, Abhijeet J Karkamkar, Jian Zhi Hu, Kevin R Zavadil, Nav Nidhi Rajput, Karl T Mueller, Vijayakumar Murugesan
From Bulk to Interface: Solvent Exchange Dynamics and Their Role in Ion Transport and the Interfacial Model of Rechargeable Magnesium Batteries. Journal of the American Chemical Society 146 (19) (2024)
Chi Chen, Dan Thien Nguyen, Shannon J Lee, Nathan A Baker, Ajay S Karakoti, Linda Lauw, Craig Owen, Karl T Mueller, Brian A Bilodeau, Vijayakumar Murugesan, Matthias Troyer
Accelerating Computational Materials Discovery with Machine Learning and Cloud High-Performance Computing: from Large-Scale Screening to Experimental Validation. Journal of the American Chemical Society (2024)
Wendy J Shaw, Michelle K Kidder, Simon R Bare, Massimiliano Delferro, James R Morris, Francesca M Toma, Sanjaya D Senanayake, Tom S Autrey, Elizabeth J Biddinger, Shannon W Boettcher, Mark E Bowden, Phillip F Britt, Robert C Brown, R Morris Bullock, Jingguang G Chen, Claus Daniel, Peter K Dorhout, Rebecca A Efroymson, Kelly J Gaffney, Laura Gagliardi, Aaron S Harper, David J Heldebrant, Oana R Luca, Maxim Lyubovsky, Jonathan L Male, Daniel J Miller, Tanya Prozorov, Robert Rallo, Rachita Rana, Robert M Rioux, Aaron D Sadow, Joshua A Schaidle, Lisa A Schulte, William A Tarpeh, Dionisios G Vlachos, Bryan D Vogt, Robert S Weber, Jenny Y Yang, Elke Arenholz, Brett A Helms, Wenyu Huang, James L Jordahl, Canan Karakaya, Kourosh Cyrus Kian, Jotheeswari Kothandaraman, Johannes Lercher, Ping Liu, Deepika Malhotra, Karl T Mueller, Casey P O'Brien, Robert M Palomino, Long Qi, José A Rodríguez, Roger Rousseau, Jake C Russell, Michele L Sarazen, David S Sholl, Emily A Smith, Michaela Burke Stevens, Yogesh Surendranath, Christopher J Tassone, Ba Tran, William Tumas, Krista S Walton
A US perspective on closing the carbon cycle to defossilize difficult-to-electrify segments of our economy. Nature reviews. Chemistry 8 (5) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
Publisher Correction: An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Yong Zhang, Emily V Carino, Nathan T Hahn, Nigel Becknell, Julian Mars, Kee Sung Han, Karl T Mueller, Michael F Toney, Edward J Maginn, Sanja Tepavcevic
Understanding the Surprising Ionic Conductivity Maximum in Zn(TFSI) 2 Water/Acetonitrile Mixture Electrolytes. The journal of physical chemistry letters (2023)
Venkateshkumar Prabhakaran, Garvit Agarwal, Jason D Howard, Sungun Wi, Vaithiyalingam Shutthanandan, Dan-Thien Nguyen, Luke Soule, Grant E Johnson, Yi-Sheng Liu, Feipeng Yang, Xuefei Feng, Jinghua Guo, Kie Hankins, Larry A Curtiss, Karl T Mueller, Rajeev S Assary, Vijayakumar Murugesan
Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface. ACS applied materials & interfaces (2023)
Rosa Di Felice, Maricris L Mayes, Ryan M Richard, David B Williams-Young, Garnet Kin-Lic Chan, Wibe A de Jong, Niranjan Govind, Martin Head-Gordon, Matthew R Hermes, Karol Kowalski, Xiaosong Li, Hans Lischka, Karl T Mueller, Erdal Mutlu, Anders M N Niklasson, Mark R Pederson, Bo Peng, Ron Shepard, Edward F Valeev, Mark van Schilfgaarde, Bess Vlaisavljevich, Theresa L Windus, Sotiris S Xantheas, Xing Zhang, Paul M Zimmerman
A Perspective on Sustainable Computational Chemistry Software Development and Integration. Journal of chemical theory and computation (2023)
Venkateshkumar Prabhakaran, Garvit Agarwal, Jason D Howard, Sungun Wi, Vaithiyalingam Shutthanandan, Dan-Thien Nguyen, Luke Soule, Grant E Johnson, Yi-Sheng Liu, Feipeng Yang, Xuefei Feng, Jinghua Guo, Kie Hankins, Larry A Curtiss, Karl T Mueller, Rajeev S Assary, Vijayakumar Murugesan
Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface. ACS applied materials & interfaces 15 (5) (2023)
Heonjae Jeong, Dan-Thien Nguyen, Yingjie Yang, D Bruce Buchholz, Guennadi Evmenenko, Jinghua Guo, Feipeng Yang, Paul C Redfern, Jian Zhi Hu, Karl T Mueller, Robert F Klie, Vijayakumar Murugesan, Justin G Connell, Venkateshkumar Prabhakaran, Lei Cheng
Electrolyte Reactivity on the MgV 2 O 4 Cathode Surface. ACS applied materials & interfaces (2023)
Rasha Atwi, Ying Chen, Kee Sung Han, Karl T Mueller, Vijayakumar Murugesan, Nav Nidhi Rajput
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions. Nature computational science 2 (2) (2022)
Jian Zhi Hu, Nicholas R Jaegers, Nathan T Hahn, Wenda Hu, Kee Sung Han, Ying Chen, Jesse A Sears, Vijayakumar Murugesan, Kevin R Zavadil, Karl T Mueller
Understanding the Solvation-Dependent Properties of Cyclic Ether Multivalent Electrolytes Using High-Field NMR and Quantum Chemistry. JACS Au 2 (4) (2022)
Rasha Atwi, Ying Chen, Kee Sung Han, Karl T Mueller, Vijayakumar Murugesan, Nav Nidhi Rajput
An automated framework for high-throughput predictions of NMR chemical shifts within liquid solutions. Nature computational science 2 (2) (2022)
Nathan T Hahn, Julian Self, Kee Sung Han, Vijayakumar Murugesan, Karl T Mueller, Kristin Aslaug Persson, Kevin R Zavadil
Quantifying Species Populations in Multivalent Borohydride Electrolytes. The journal of physical chemistry. B 125 (14) (2021)
Garvit Agarwal, Jason D Howard, Venkateshkumar Prabhakaran, Grant E Johnson, Vijayakumar Murugesan, Karl T Mueller, Larry A Curtiss, Rajeev S Assary
Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations. ACS applied materials & interfaces 13 (32) (2021)
Kie Hankins, Venkateshkumar Prabhakaran, Sungun Wi, Vaithiyalingam Shutthanandan, Grant E Johnson, Swadipta Roy, Hui Wang, Yuyan Shao, Suntharampillai Thevuthasan, Perla B Balbuena, Karl T Mueller, Vijayakumar Murugesan
Role of Polysulfide Anions in Solid-Electrolyte Interphase Formation at the Lithium Metal Surface in Li-S Batteries. The journal of physical chemistry letters 12 (38) (2021)
Linda W Wangoh, Zhenzhong Yang, Le Wang, Mark E Bowden, Xinmao Yin, Andrew Thye Shen Wee, Karl T Mueller, Vijayakumar Murugesan, Yingge Du
Mg2+ Diffusion-Induced Structural and Property Evolution in Epitaxial Fe3O4 Thin Films. ACS nano 14 (11) (2020)
Nicholas R Jaegers, Karl T Mueller, Yong Wang, Jian Zhi Hu
Variable Temperature and Pressure Operando MAS NMR for Catalysis Science and Related Materials. Accounts of chemical research 53 (3) (2020)
Kee Sung Han, Zhou Yu, Hui Wang, Paul C Redfern, Lin Ma, Lei Cheng, Ying Chen, Jian Zhi Hu, Larry A Curtiss, Kang Xu, Vijayakumar Murugesan, Karl T Mueller
Origin of Unusual Acidity and Li+ Diffusivity in a Series of Water-in-Salt Electrolytes. The journal of physical chemistry. B 124 (25) (2020)
Ying Chen, Nicholas R Jaegers, Hui Wang, Kee Sung Han, Jian Zhi Hu, Karl T Mueller, Vijayakumar Murugesan
Role of Solvent Rearrangement on Mg2+ Solvation Structures in Dimethoxyethane Solutions using Multimodal NMR Analysis. The journal of physical chemistry letters 11 (15) (2020)
Ethan P Kamphaus, Stefany Angarita-Gomez, Xueping Qin, Minhua Shao, Mark H Engelhard, Karl T Mueller, Vijayakumar Murugesan, Perla B Balbuena
Role of Inorganic Surface Layer on Solid Electrolyte Interphase Evolution at Li-Metal Anodes. ACS applied materials & interfaces 11 (34) (2019)
Jian Zhi Hu, Nicholas R Jaegers, Ying Chen, Kee Sung Han, Hui Wang, Vijayakumar Murugesan, Karl T Mueller
Adsorption and Thermal Decomposition of Electrolytes on Nanometer Magnesium Oxide: An in Situ 13C MAS NMR Study. ACS applied materials & interfaces 11 (42) (2019)
Sean T Holmes, Robbie J Iuliucci, Karl T Mueller, Cecil Dybowski
Semi-empirical refinements of crystal structures using 17O quadrupolar-coupling tensors. The Journal of chemical physics 146 (6) (2018)
Guohui Wang, Wooyong Um, Zheming Wang, Estela Reinoso-Maset, Nancy M Washton, Karl T Mueller, Nicolas Perdrial, Peggy A O'Day, Jon Chorover
Uranium Release from Acidic Weathered Hanford Sediments: Single-Pass Flow-Through and Column Experiments. Environmental science & technology 51 (19) (2017)
Chuan Wan, Suochang Xu, Mary Y Hu, Ruiguo Cao, Jiangfeng Qian, Zhaohai Qin, Jun Liu, Karl T Mueller, Ji-Guang Zhang, Jian Zhi Hu
Multinuclear NMR Study of the Solid Electrolyte Interface Formed in Lithium Metal Batteries. ACS applied materials & interfaces 9 (17) (2017)
Junzheng Chen, Wesley A Henderson, Huilin Pan, Brian R Perdue, Ruiguo Cao, Jian Zhi Hu, Chuan Wan, Kee Sung Han, Karl T Mueller, Ji-Guang Zhang, Yuyan Shao, Jun Liu
Improving Lithium-Sulfur Battery Performance under Lean Electrolyte through Nanoscale Confinement in Soft Swellable Gels. Nano letters 17 (5) (2017)
Rosalynn Quiñones, Deben Shoup, Grayce Behnke, Cynthia Peck, Sushant Agarwal, Rakesh K Gupta, Jonathan W Fagan, Karl T Mueller, Robbie J Iuliucci, Qiang Wang
Study of Perfluorophosphonic Acid Surface Modifications on Zinc Oxide Nanoparticles. Materials (Basel, Switzerland) 10 (12) (2017)
Salim Ok, David W Hoyt, Amity Andersen, Julie Sheets, Susan A Welch, David R Cole, Karl T Mueller, Nancy M Washton
Surface Interactions and Confinement of Methane: A High Pressure Magic Angle Spinning NMR and Computational Chemistry Study. Langmuir : the ACS journal of surfaces and colloids 33 (6) (2017)