Kristin Aslaug Persson (Kristin Persson, K A Persson, Kristin A Persson)

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 99

Top Topics

Density Functional Theory

Machine Learning

Room Temperature

Top Venues

Nature communications

Journal of the American Chemical Society

Inorganic chemistry

Science advances

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

Publications

Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L D Rinkel, Bryan D McCloskey, Kristin Aslaug Persson
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries. The journal of physical chemistry letters 15 (2) (2024)
John M Dagdelen, Alexander Dunn, Sanghoon Lee, Nicholas Walker, Andrew S Rosen, Gerbrand Ceder, Kristin Aslaug Persson, Evan Walter Clark Spotte-Smith
Structured information extraction from scientific text with large language models. Nature communications 15 (1) (2024)
Ana Arteaga, Trevor Arino, Guy C Moore, Jenna L Bustos, Matthew K Horton, Kristin Aslaug Persson, Jun Li, William F Stickle, Tsuyoshi A Kohlgruber, Robert G Surbella, May Nyman
The Role of Alkalis in Orchestrating Uranyl-Peroxide Reactivity Leading to Direct Air Capture of Carbon Dioxide. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Peter B Meisenheimer, Guy Moore, Shiyu Zhou, Hongrui Zhang, Xiaoxi Huang, Sajid Husain, Xianzhe Chen, Lane W Martin, Kristin Aslaug Persson, Sinéad M Griffin, Lucas Caretta, Paul Stevenson, Ramamoorthy Ramesh
Switching the spin cycloid in BiFeO 3 with an electric field. Nature communications 15 (1) (2024)
Peng-Cheng Chen, Mengyu Gao, Caitlin A McCandler, Chengyu Song, Jianbo Jin, Yao Yang, Arifin Luthfi Maulana, Kristin Aslaug Persson, Peidong Yang
Complete miscibility of immiscible elements at the nanometre scale. Nature nanotechnology 19 (6) (2024)
Peng-Cheng Chen, Mengyu Gao, Caitlin A McCandler, Chengyu Song, Jianbo Jin, Yao Yang, Arifin Luthfi Maulana, Kristin Aslaug Persson, Peidong Yang
Complete miscibility of immiscible elements at the nanometre scale. Nature nanotechnology (2024)
Mutian Hua, Zhengxing Peng, Rishabh D Guha, Xiaoxu Ruan, Ka Chon Ng, Jeremy Demarteau, Shira Haber, Sophia N Fricke, Jeffrey A Reimer, Miquel B Salmeron, Kristin Aslaug Persson, Cheng Wang, Brett A Helms
Mechanochemically accelerated deconstruction of chemically recyclable plastics. Science advances 10 (38) (2024)
Christopher L Rom, Andrew Novick, Matthew J McDermott, Andrey A Yakovenko, Jessica R Gallawa, Gia Thinh Tran, Dominic C Asebiah, Emily N Storck, Brennan C McBride, Rebecca C Miller, Amy L Prieto, Kristin Aslaug Persson, Eric Toberer, Vladan Stevanović, Andriy Zakutayev, James R Neilson
Mechanistically Guided Materials Chemistry: Synthesis of Ternary Nitrides, CaZrN 2 and CaHfN 2 . Journal of the American Chemical Society (2024)
Ana Arteaga, Trevor Arino, Guy C Moore, Jenna L Bustos, Matthew K Horton, Kristin Aslaug Persson, Jun Li, William F Stickle, Tsuyoshi A Kohlgruber, Robert G Surbella, May Nyman
The Role of Alkalis in Orchestrating Uranyl-Peroxide Reactivity Leading to Direct Air Capture of Carbon Dioxide. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (27) (2024)
Jianli Cheng, Xinxing Peng, Ya-Qian Zhang, Yaosen Tian, Tofunmi Ogunfunmi, Andrew Z Haddad, Andrew Dopilka, Gerbrand Ceder, Kristin Aslaug Persson, Mary C Scott
Oxygen Transport through Amorphous Cathode Coatings in Solid-State Batteries. Chemistry of materials : a publication of the American Chemical Society 36 (6) (2024)
Peter B Meisenheimer, Guy Moore, Shiyu Zhou, Hongrui Zhang, Xiaoxi Huang, Sajid Husain, Xianzhe Chen, Lane W Martin, Kristin Aslaug Persson, Sinéad M Griffin, Lucas Caretta, Paul Stevenson, Ramamoorthy Ramesh
Switching the spin cycloid in BiFeO 3 with an electric field. Nature communications 15 (1) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
John M Dagdelen, Alexander Dunn, Sanghoon Lee, Nicholas Walker, Andrew S Rosen, Gerbrand Ceder, Kristin Aslaug Persson, Evan Walter Clark Spotte-Smith
Structured information extraction from scientific text with large language models. Nature communications 15 (1) (2024)
Peter B Meisenheimer, Guy Moore, Shiyu Zhou, Hongrui Zhang, Xiaoxi Huang, Sajid Husain, Xianzhe Chen, Lane W Martin, Kristin Aslaug Persson, Sinéad M Griffin, Lucas Caretta, Paul Stevenson, Ramamoorthy Ramesh
Switching the spin cycloid in BiFeO 3 with an electric field. Nature communications 15 (1) (2024)
John M Dagdelen, Alexander Dunn, Sanghoon Lee, Nicholas Walker, Andrew S Rosen, Gerbrand Ceder, Kristin Aslaug Persson, Evan Walter Clark Spotte-Smith
Structured information extraction from scientific text with large language models. Nature communications 15 (1) (2024)
Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L D Rinkel, Bryan D McCloskey, Kristin Aslaug Persson
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries. The journal of physical chemistry letters 15 (2) (2024)
Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L D Rinkel, Bryan D McCloskey, Kristin Aslaug Persson
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries. The journal of physical chemistry letters (2024)
Evan Walter Clark Spotte-Smith, Sudarshan Vijay, Thea Bee Petrocelli, Bernardine L D Rinkel, Bryan D McCloskey, Kristin Aslaug Persson
A Critical Analysis of Chemical and Electrochemical Oxidation Mechanisms in Li-Ion Batteries. The journal of physical chemistry letters 15 (2) (2024)
Matthew L Evans, Johan Bergsma, Andrius Merkys, Casper Welzel Andersen, Oskar B Andersson, Daniel Beltrán, Evgeny Blokhin, Tara M Boland, Rubén Castañeda Balderas, Kamal Choudhary, Alberto Díaz Díaz, Rodrigo Domínguez García, Hagen Eckert, Kristjan Eimre, María Elena Fuentes Montero, Adam M Krajewski, Jens Jørgen Mortensen, José Manuel Nápoles Duarte, Jacob Pietryga, Ji Qi, Felipe de Jesús Trejo Carrillo, Antanas Vaitkus, Jusong Yu, Adam Zettel, Pedro Baptista de Castro, Johan Carlsson, Tiago F T Cerqueira, Simon Divilov, Hamidreza Hajiyani, Felix Hanke, Kevin Jose, Corey Oses, Janosh Riebesell, Jonathan Schmidt, Donald Winston, Christen Xie, Xiaoyu Yang, Sara Bonella, Silvana Botti, Stefano Curtarolo, Claudia Draxl, Luis Edmundo Fuentes Cobas, Adam Hospital, Zi-Kui Liu, Miguel A L Marques, Nicola Marzari, Andrew J Morris, Shyue Ping Ong, Modesto Orozco, Kristin Aslaug Persson, Kristian Sommer Thygesen, Christopher M Wolverton, Markus Scheidgen, Cormac Toher, Gareth J Conduit, Giovanni Pizzi, Saulius Gražulis, Gian Marco Rignanese, Rickard Armiento
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange. Digital discovery 3 (8) (2024)
Peng-Cheng Chen, Mengyu Gao, Caitlin A McCandler, Chengyu Song, Jianbo Jin, Yao Yang, Arifin Luthfi Maulana, Kristin Aslaug Persson, Peidong Yang
Complete miscibility of immiscible elements at the nanometre scale. Nature nanotechnology 19 (6) (2024)
Jianli Cheng, Xinxing Peng, Ya-Qian Zhang, Yaosen Tian, Tofunmi Ogunfunmi, Andrew Z Haddad, Andrew Dopilka, Gerbrand Ceder, Kristin Aslaug Persson, Mary C Scott
Oxygen Transport through Amorphous Cathode Coatings in Solid-State Batteries. Chemistry of materials : a publication of the American Chemical Society 36 (6) (2024)
Ana Arteaga, Trevor Arino, Guy C Moore, Jenna L Bustos, Matthew K Horton, Kristin Aslaug Persson, Jun Li, William F Stickle, Tsuyoshi A Kohlgruber, Robert G Surbella, May Nyman
The Role of Alkalis in Orchestrating Uranyl-Peroxide Reactivity Leading to Direct Air Capture of Carbon Dioxide. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (27) (2024)
John M Dagdelen, Alexander Dunn, Sanghoon Lee, Nicholas Walker, Andrew S Rosen, Gerbrand Ceder, Kristin Aslaug Persson, Evan Walter Clark Spotte-Smith
Structured information extraction from scientific text with large language models. Nature communications 15 (1) (2024)
Peter B Meisenheimer, Guy Moore, Shiyu Zhou, Hongrui Zhang, Xiaoxi Huang, Sajid Husain, Xianzhe Chen, Lane W Martin, Kristin Aslaug Persson, Sinéad M Griffin, Lucas Caretta, Paul Stevenson, Ramamoorthy Ramesh
Switching the spin cycloid in BiFeO 3 with an electric field. Nature communications 15 (1) (2024)
Christopher L Rom, Andrew Novick, Matthew J McDermott, Andrey A Yakovenko, Jessica R Gallawa, Gia Thinh Tran, Dominic C Asebiah, Emily N Storck, Brennan C McBride, Rebecca C Miller, Amy L Prieto, Kristin Aslaug Persson, Eric Toberer, Vladan Stevanović, Andriy Zakutayev, James R Neilson
Mechanistically Guided Materials Chemistry: Synthesis of Ternary Nitrides, CaZrN 2 and CaHfN 2 . Journal of the American Chemical Society 146 (6) (2024)
Evan Walter Clark Spotte-Smith, Samuel M Blau, Daniel Barter, Noel J Leon, Nathan T Hahn, Nikita S Redkar, Kevin R Zavadil, Chen Liao, Kristin Aslaug Persson
Chemical Reaction Networks Explain Gas Evolution Mechanisms in Mg-Ion Batteries. Journal of the American Chemical Society (2023)
Matthew J McDermott, Brennan C McBride, Corlyn E Regier, Gia Thinh Tran, Yu Chen, Adam A Corrao, Max C Gallant, Gabrielle E Kamm, Christopher J Bartel, Karena W Chapman, Peter G Khalifah, Gerbrand Ceder, James R Neilson, Kristin Aslaug Persson
Assessing Thermodynamic Selectivity of Solid-State Reactions for the Predictive Synthesis of Inorganic Materials. ACS central science 9 (10) (2023)
Eric A Dailing, Pawan Khanal, Alexander R Epstein, Jeremy Demarteau, Kristin Aslaug Persson, Brett A Helms
Circular Polydiketoenamine Elastomers with Exceptional Creep Resistance via Multivalent Cross-Linker Design. ACS central science 10 (1) (2023)
John M Dagdelen, Amalie Trewartha, Haoyan Huo, Yuxing Fei, Tanjin He, Kevin Cruse, Zheren Wang, Akshay Subramanian, Benjamin Justus, Gerbrand Ceder, Kristin Aslaug Persson
COVIDScholar: An automated COVID-19 research aggregation and analysis platform. PloS one 18 (2) (2023)
Gia Thinh Tran, Allison Wustrow, Daniel O'Nolan, SongSheng Tao, Christopher J Bartel, Tanjin He, Matthew J McDermott, Brennan C McBride, Karena W Chapman, Simon J L Billinge, Kristin Aslaug Persson, Gerbrand Ceder, James R Neilson
Selective Synthesis of Defect-Rich LaMnO 3 by Low-Temperature Anion Cometathesis. Inorganic chemistry (2023)
Andrew S Rosen, Sudarshan Vijay, Kristin Aslaug Persson
Free-atom-like d states beyond the dilute limit of single-atom alloys. Chemical science 14 (6) (2023)
Maxwell C Venetos, Mingjian Wen, Kristin Aslaug Persson
Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks. The journal of physical chemistry. A 127 (10) (2023)
Yujun Xie, Jingyang Wang, Benjamin H Savitzky, Zheng Chen, Yu Wang, Sophia Betzler, Karen C Bustillo, Kristin Aslaug Persson, Yi Cui, Lin-Wang Wang, Colin Ophus, Peter Ercius, Haimei Zheng
Spatially resolved structural order in low-temperature liquid electrolyte. Science advances 9 (2) (2023)
Rebecca D McAuliffe, Gabrielle E Kamm, Matthew J McDermott, Raphaël P Hermann, Neyanel Vasquez-Garcia, Robert L Sacci, Kristin Aslaug Persson, Karena W Chapman, Gabriel M Veith
Direct Mechanochemical Synthesis, Phase Stability, and Electrochemical Performance of α-NaFeO 2 . Inorganic chemistry 62 (8) (2023)
Andrew S Rosen, Sudarshan Vijay, Kristin Aslaug Persson
Free-atom-like d states beyond the dilute limit of single-atom alloys. Chemical science 14 (6) (2023)
Yujun Xie, Jingyang Wang, Benjamin H Savitzky, Zheng Chen, Yu Wang, Sophia Betzler, Karen C Bustillo, Kristin Aslaug Persson, Yi Cui, Lin-Wang Wang, Colin Ophus, Peter Ercius, Haimei Zheng
Spatially resolved structural order in low-temperature liquid electrolyte. Science advances 9 (2) (2023)
Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, Matthew J McDermott, Aditi S Krishnapriyan, Kristin Aslaug Persson
Chemical reaction networks and opportunities for machine learning. Nature computational science 3 (1) (2023)
Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, Matthew J McDermott, Aditi S Krishnapriyan, Kristin Aslaug Persson
Chemical reaction networks and opportunities for machine learning. Nature computational science 3 (1) (2023)
Alexander Rizzolo Epstein, Jeremy Demarteau, Brett A Helms, Kristin Aslaug Persson
Correction to "Variable Amine Spacing Determines Depolymerization Rate in Polydiketoenamines". Journal of the American Chemical Society (2023)
Rebecca D McAuliffe, Gabrielle E Kamm, Matthew J McDermott, Raphaël P Hermann, Neyanel Vasquez-Garcia, Robert L Sacci, Kristin Aslaug Persson, Karena W Chapman, Gabriel M Veith
Direct Mechanochemical Synthesis, Phase Stability, and Electrochemical Performance of α-NaFeO 2 . Inorganic chemistry (2023)
Alexander Rizzolo Epstein, Evan Walter Clark Spotte-Smith, Maxwell C Venetos, Oxana Andriuc, Kristin Aslaug Persson
Assessing the Accuracy of Density Functional Approximations for Predicting Hydrolysis Reaction Kinetics. Journal of chemical theory and computation (2023)
John M Dagdelen, Amalie Trewartha, Haoyan Huo, Yuxing Fei, Tanjin He, Kevin Cruse, Zheren Wang, Akshay Subramanian, Benjamin Justus, Gerbrand Ceder, Kristin Aslaug Persson
COVIDScholar: An automated COVID-19 research aggregation and analysis platform. PloS one 18 (2) (2023)
Eric A Dailing, Pawan Khanal, Alexander R Epstein, Jeremy Demarteau, Kristin Aslaug Persson, Brett A Helms
Circular Polydiketoenamine Elastomers with Exceptional Creep Resistance via Multivalent Cross-Linker Design. ACS central science 10 (1) (2023)
Alexander Rizzolo Epstein, Jeremy Demarteau, Brett A Helms, Kristin Aslaug Persson
Variable Amine Spacing Determines Depolymerization Rate in Polydiketoenamines. Journal of the American Chemical Society (2023)
Maxwell C Venetos, Mingjian Wen, Kristin Aslaug Persson
Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks. The journal of physical chemistry. A 127 (10) (2023)
Jordan Burns, Kristin Aslaug Persson
Oxygen Loss on Disordered Li-Excess, Mn-Rich Li-Ion Cathode Li 2 MnO 2 F through First-Principles Modeling. Chemistry of materials : a publication of the American Chemical Society 35 (21) (2023)
Gia Thinh Tran, Allison Wustrow, Daniel O'Nolan, SongSheng Tao, Christopher J Bartel, Tanjin He, Matthew J McDermott, Brennan C McBride, Karena W Chapman, Simon J L Billinge, Kristin Aslaug Persson, Gerbrand Ceder, James R Neilson
Selective Synthesis of Defect-Rich LaMnO 3 by Low-Temperature Anion Cometathesis. Inorganic chemistry 63 (7) (2023)
Maxwell C Venetos, Mingjian Wen, Kristin Aslaug Persson
Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks. The journal of physical chemistry. A 127 (10) (2023)
John M Dagdelen, Amalie Trewartha, Haoyan Huo, Yuxing Fei, Tanjin He, Kevin Cruse, Zheren Wang, Akshay Subramanian, Benjamin Justus, Gerbrand Ceder, Kristin Aslaug Persson
COVIDScholar: An automated COVID-19 research aggregation and analysis platform. PloS one 18 (2) (2023)
Maxwell C Venetos, Mingjian Wen, Kristin Aslaug Persson
Machine Learning Full NMR Chemical Shift Tensors of Silicon Oxides with Equivariant Graph Neural Networks. The journal of physical chemistry. A (2023)
Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, Matthew J McDermott, Aditi S Krishnapriyan, Kristin Aslaug Persson
Chemical reaction networks and opportunities for machine learning. Nature computational science 3 (1) (2023)
Mingjian Wen, Evan Walter Clark Spotte-Smith, Samuel M Blau, Matthew J McDermott, Aditi S Krishnapriyan, Kristin Aslaug Persson
Chemical reaction networks and opportunities for machine learning. Nature computational science 3 (1) (2023)
Ann Rutt, Dogancan Sari, Qian Chen, Jiyoon Kim, Gerbrand Ceder, Kristin Aslaug Persson
Novel Structural Motif To Promote Mg-Ion Mobility: Investigating ABO 4 Zircons as Magnesium Intercalation Cathodes. ACS applied materials & interfaces (2023)
Martin Siron, Oxana Andriuc, Kristin Aslaug Persson
Data-Driven Investigation of Tellurium-Containing Semiconductors for CO 2 Reduction: Trends in Adsorption and Scaling Relations. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (31) (2022)
Caitlin A McCandler, Jakob C Dahl, Kristin Aslaug Persson
Phosphine-Stabilized Hidden Ground States in Gold Clusters Investigated via a Au n (PH 3 ) m Database. ACS nano (2022)
Nathan T Hahn, Julian Self, Darren M Driscoll, Naveen Dandu, Kee Sung Han, Vijayakumar Murugesan, Karl T Mueller, Larry A Curtiss, Mahalingam Balasubramanian, Kristin Aslaug Persson, Kevin R Zavadil
Concentration-dependent ion correlations impact the electrochemical behavior of calcium battery electrolytes. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Caitlin A McCandler, Jakob C Dahl, Kristin Aslaug Persson
Phosphine-Stabilized Hidden Ground States in Gold Clusters Investigated via a Au n (PH 3 ) m Database. ACS nano (2022)
Ann L Greenaway, Sijia Ke, Theodore Culman, Kevin R Talley, John S Mangum, Karen N Heinselman, Ryan S Kingsbury, Rebecca W Smaha, Melissa K Gish, Elisa M Miller, Kristin Aslaug Persson, John M Gregoire, Sage R Bauers, Jeffrey B Neaton, Adele C Tamboli, Andriy Zakutayev
Zinc Titanium Nitride Semiconductor toward Durable Photoelectrochemical Applications. Journal of the American Chemical Society 144 (30) (2022)
Caitlin A McCandler, Jakob C Dahl, Kristin Aslaug Persson
Phosphine-Stabilized Hidden Ground States in Gold Clusters Investigated via a Au n (PH 3 ) m Database. ACS nano (2022)
Mingjian Wen, Samuel M Blau, Xiaowei Xie, Shyam Dwaraknath, Kristin Aslaug Persson
Improving machine learning performance on small chemical reaction data with unsupervised contrastive pretraining. Chemical science 13 (5) (2022)
Dong-Joo Yoo, Qian Liu, Orion Cohen, Minkyu Kim, Kristin Aslaug Persson, Zhengcheng Zhang
Understanding the Role of SEI Layer in Low-Temperature Performance of Lithium-Ion Batteries. ACS applied materials & interfaces 14 (9) (2022)
Ann Rutt, Jimmy-Xuan Shen, Matthew K Horton, Jiyoon Kim, Jerry Lin, Kristin Aslaug Persson
Expanding the Material Search Space for Multivalent Cathodes. ACS applied materials & interfaces 14 (39) (2022)
Ting-Zheng Hou, Wentao Xu, Xiaokun Pei, Lu Jiang, Omar M Yaghi, Kristin Aslaug Persson
Ionic Conduction Mechanism and Design of Metal-Organic Framework Based Quasi-Solid-State Electrolytes. Journal of the American Chemical Society 144 (30) (2022)
Ruo Xi Yang, Caitlin A McCandler, Oxana Andriuc, Martin Siron, Rachel Woods-Robinson, Matthew K Horton, Kristin Aslaug Persson
Big Data in a Nano World: A Review on Computational, Data-Driven Design of Nanomaterials Structures, Properties, and Synthesis. ACS nano (2022)
Jeremy Demarteau, Alexander Rizzolo Epstein, Peter R Christensen, Mark Abubekerov, Hai Wang, Simon J Teat, Trevor J Seguin, Christopher W Chan, Corinne D Scown, Thomas P Russell, Jay D Keasling, Kristin Aslaug Persson, Brett A Helms
Circularity in mixed-plastic chemical recycling enabled by variable rates of polydiketoenamine hydrolysis. Science advances 8 (29) (2022)
Matthew J McDermott, Shyam S Dwaraknath, Kristin Aslaug Persson
A graph-based network for predicting chemical reaction pathways in solid-state materials synthesis. Nature communications 12 (1) (2021)
Paul K Todd, Matthew J McDermott, Christopher L Rom, Adam A Corrao, Jonathan J Denney, Shyam S Dwaraknath, Peter G Khalifah, Kristin Aslaug Persson, James R Neilson
Selectivity in Yttrium Manganese Oxide Synthesis via Local Chemical Potentials in Hyperdimensional Phase Space. Journal of the American Chemical Society 143 (37) (2021)
Addy Moran, Shawn Hampton, Scott Dowson, John M Dagdelen, Amalie Trewartha, Gerbrand Ceder, Kristin Aslaug Persson, Elise Saxon, Andrew Barker, Lauren E Charles, Bobbie-Jo M Webb-Robertson
Online Interactive Platform for COVID-19 Literature Visual Analytics: Platform Development Study. Journal of medical Internet research 23 (7) (2021)
Samuel M Blau, Hetal D Patel, Evan Walter Clark Spotte-Smith, Xiaowei Xie, Shyam S Dwaraknath, Kristin Aslaug Persson
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation. Chemical science 12 (13) (2021)
Oxana Andriuc, Martin Siron, Joseph H Montoya, Matthew K Horton, Kristin Aslaug Persson
Automated Adsorption Workflow for Semiconductor Surfaces and the Application to Zinc Telluride. Journal of chemical information and modeling 61 (8) (2021)
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)
Xiaowei Xie, Evan Walter Clark Spotte-Smith, Mingjian Wen, Hetal D Patel, Samuel M Blau, Kristin Aslaug Persson
Data-Driven Prediction of Formation Mechanisms of Lithium Ethylene Monocarbonate with an Automated Reaction Network. Journal of the American Chemical Society 143 (33) (2021)
Hillary Pan, Alex M Ganose, Matthew K Horton, Muratahan Aykol, Kristin Aslaug Persson, Nils E R Zimmermann, Evan Walter Clark Spotte-Smith
Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures. Inorganic chemistry 60 (3) (2021)
Ting-Zheng Hou, Kara D Fong, Jingyang Wang, Kristin Aslaug Persson
The solvation structure, transport properties and reduction behavior of carbonate-based electrolytes of lithium-ion batteries. Chemical science 12 (44) (2021)
Tian Du, Thomas J Macdonald, Ruo Xi Yang, Meng Li, Zhongyao Jiang, Lokeshwari Mohan, Weidong Xu, Zhenhuang Su, Xing-Yu Gao, Richard Whiteley, Chieh-Ting Lin, Ganghong Min, Saif A Haque, James R Durrant, Kristin Aslaug Persson, Martyn A McLachlan, Joe Briscoe
Additive-free, Low-temperature Crystallization of Stable α-FAPbI3 Perovskite. Advanced materials (Deerfield Beach, Fla.) (2021)
Hillary Pan, Alex M Ganose, Matthew K Horton, Muratahan Aykol, Kristin Aslaug Persson, Nils E R Zimmermann, Evan Walter Clark Spotte-Smith
Correction to Benchmarking Coordination Number Prediction Algorithms on Inorganic Crystal Structures. Inorganic chemistry 60 (10) (2021)
Rebecca D Stern, Ryan S Kingsbury, Kristin Aslaug Persson
Aqueous Stability of Zirconium Clusters, Including the Zr(IV) Hexanuclear Hydrolysis Complex [Zr6O4(OH)4(H2O)24]12+, from Density Functional Theory. Inorganic chemistry 60 (20) (2021)
Jianli Cheng, Eric Sivonxay, Kristin Aslaug Persson
Evaluation of Amorphous Oxide Coatings for High-Voltage Li-Ion Battery Applications Using a First-Principles Framework. ACS applied materials & interfaces 12 (31) (2020)
Paul K Todd, Allison Wustrow, Rebecca D McAuliffe, Matthew J McDermott, Gia Thinh Tran, Brennan C McBride, Ethan D Boeding, Daniel O'Nolan, Chia-Hao Liu, Shyam S Dwaraknath, Karena W Chapman, Simon J L Billinge, Kristin Aslaug Persson, Ashfia Huq, Gabriel M Veith, James R Neilson
Defect-Accommodating Intermediates Yield Selective Low-Temperature Synthesis of YMnO3 Polymorphs. Inorganic chemistry 59 (18) (2020)
Danielle C Hutchison, Rebecca D Stern, Lev N Zakharov, Kristin Aslaug Persson, May Nyman
Butyltin Keggin Ion with a Rare Four-Coordinate Ca Center. Inorganic chemistry 59 (5) (2020)
Nathan C Frey, Matthew K Horton, Jason M Munro, Sinéad M Griffin, Kristin Aslaug Persson, Vivek B Shenoy
High-throughput search for magnetic and topological order in transition metal oxides. Science advances 6 (50) (2020)
Ayaskanta Sahu, Boris Russ, Miao Liu, Fan Yang, Edmond W Zaia, Madeleine P Gordon, Jason D Forster, Ya-Qian Zhang, Mary C Scott, Kristin Aslaug Persson, Nelson E Coates, Rachel A Segalman, Jeffrey J Urban
In-situ resonant band engineering of solution-processed semiconductors generates high performance n-type thermoelectric nano-inks. Nature communications 11 (1) (2020)
Mingjian Wen, Samuel M Blau, Evan Walter Clark Spotte-Smith, Shyam S Dwaraknath, Kristin Aslaug Persson
BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules. Chemical science 12 (5) (2020)
Rebecca C Vincent, Pratap Vishnoi, Molleigh B Preefer, Jimmy-Xuan Shen, Fabian Seeler, Kristin Aslaug Persson, Ram Seshadri
Li5VF4(SO4)2: A Prototype High-Voltage Li-Ion Cathode. ACS applied materials & interfaces 12 (43) (2020)
David Waroquiers, Janine George, Matthew K Horton, Stephan Schenk, Kristin Aslaug Persson, Gian Marco Rignanese, Xavier Gonze, Geoffroy Hautier
ChemEnv: a fast and robust coordination environment identification tool. Acta crystallographica Section B, Structural science, crystal engineering and materials 76 (Pt 4) (2020)
Julian Self, Nathan T Hahn, Kara D Fong, Scott A McClary, Kevin R Zavadil, Kristin Aslaug Persson
Ion Pairing and Redissociaton in Low-Permittivity Electrolytes for Multivalent Battery Applications. The journal of physical chemistry letters 11 (6) (2020)
Rachel Woods-Robinson, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin Aslaug Persson, Andriy Zakutayev
Correction to Wide Band Gap Chalcogenide Semiconductors. Chemical reviews 120 (15) (2020)
Xiaowei Xie, Kristin Aslaug Persson, David W Small
Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations. Journal of chemical theory and computation 16 (7) (2020)
Rachel Woods-Robinson, Yanbing Han, Hanyu Zhang, Tursun Ablekim, Imran Khan, Kristin Aslaug Persson, Andriy Zakutayev
Wide Band Gap Chalcogenide Semiconductors. Chemical reviews 120 (9) (2020)
Arunima K Singh, Joseph H Montoya, John M Gregoire, Kristin Aslaug Persson
Robust and synthesizable photocatalysts for CO2 reduction: a data-driven materials discovery. Nature communications 10 (1) (2019)
Qiaohao Liang, Shyam Dwaraknath, Kristin Aslaug Persson
High-throughput computation and evaluation of raman spectra. Scientific data 6 (1) (2019)
L Weston, V Tshitoyan, J Dagdelen, O Kononova, A Trewartha, Kristin Aslaug Persson, G Ceder, A Jain
Named Entity Recognition and Normalization Applied to Large-Scale Information Extraction from the Materials Science Literature. Journal of chemical information and modeling 59 (9) (2019)
Lauren M Garten, David T Moore, Sanjini U Nanayakkara, Shyam S Dwaraknath, Philip Schulz, Jake Wands, Angus Rockett, Brian S Newell, Kristin Aslaug Persson, Susan Trolier-McKinstry, David S Ginley
The existence and impact of persistent ferroelectric domains in MAPbI3. Science advances 5 (1) (2019)
Ruoqian Lin, Enyuan Hu, Mingjie Liu, Yi Wang, Hao Cheng, Jinpeng Wu, Jin-Cheng Zheng, Qin Wu, Seongmin Bak, Xiao Tong, Rui Zhang, Wanli Yang, Kristin Aslaug Persson, Xiqian Yu, Xiao-Qing Yang, Huolin L Xin
Anomalous metal segregation in lithium-rich material provides design rules for stable cathode in lithium-ion battery. Nature communications 10 (1) (2019)
Yongwoo Shin, Wang Hay Kan, Muratahan Aykol, Joseph K Papp, Bryan D McCloskey, Guoying Chen, Kristin Aslaug Persson
Alleviating oxygen evolution from Li-excess oxide materials through theory-guided surface protection. Nature communications 9 (1) (2018)
Kiran Mathew, Chen Zheng, Donald Winston, Chi Chen, Alan Dozier, John J Rehr, Shyue Ping Ong, Kristin Aslaug Persson
High-throughput computational X-ray absorption spectroscopy. Scientific data 5 (2018)
Nathan T Hahn, Trevor J Seguin, Ka-Cheong Lau, Chen Liao, Brian J Ingram, Kristin Aslaug Persson, Kevin R Zavadil
Enhanced Stability of the Carba- closo-dodecaborate Anion for High-Voltage Battery Electrolytes through Rational Design. Journal of the American Chemical Society 140 (35) (2018)
Muratahan Aykol, Shyam S Dwaraknath, Wenhao Sun, Kristin Aslaug Persson
Thermodynamic limit for synthesis of metastable inorganic materials. Science advances 4 (4) (2018)
Yun Xu, Caleb Stetson, Kevin Wood, Eric Sivonxay, Chun-Sheng Jiang, Glenn Teeter, Svitlana Pylypenko, Sang-Don Han, Kristin Aslaug Persson, Anthony Burrell, Andriy Zakutayev
Mechanical Properties and Chemical Reactivity of Li xSiO y Thin Films. ACS applied materials & interfaces 10 (44) (2018)