2024 Mechanism of the Layered-to-Spinel Phase Transformation in Li0.5NiO2 Cem Komurcuoglu Alan C. West Alexander Urban Modeling ionic transport and disorder in crystalline electrodes using percolation theory Alexander Urban Discovering melting temperature prediction models of inorganic solids by combining supervised and unsupervised learning Vahe Gharakhanyan Luke J. Wirth Jose A. Garrido Torres Ethan Eisenberg Ting Wang Dallas R. Trinkle Snigdhansu Chatterjee Alexander Urban Atomic insights into the oxidative degradation mechanisms of sulfide solid electrolytes Chuntian Cao Matthew R. Carbone Cem Komurcuoglu Jagriti S. Shekhawat Kerry Sun Haoyue Guo Sizhan Liu Ke Chen Seong-Min Bak Yonghua Du Conan Weiland Xiao Tong Daniel A. Steingart Shinjae Yoo Nongnuch Artrith Alexander Urban Deyu Lu Feng Wang 2023 Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes Haoyue Guo Matthew R Carbone Chuntian Cao Jianzhou Qu Yonghua Du Seong-Min Bak Conan Weiland Feng Wang Shinjae Yoo Nongnuch Artrith Alexander Urban Deyu Lu Integrated Combinatorial Synthesis, Characterization, and Test Platform for Lithium-Ion Battery Cathode Materials Yunhao Xiao Panni Zheng Tairan Yang Sriya Karambor Chakravarty Joaquin Rodriguez-Lopez Alexander Urban Zheng Li Constructing and Compressing Global Moment Descriptors from Local Atomic Environments Vahe Gharakhanyan Max Shirokawa Aalto Aminah Alsoulah Nongnuch Artrith Alexander Urban Modeling ionic transport and disorder in crystalline electrodes using percolation theory Alexander Urban 2022 Highly Sensitive Detection and Mapping of Incipient and Steady-State Oxygen Evolution from Operating Li-Ion Battery Cathodes via Scanning Electrochemical Microscopy Abhiroop Mishra Dipobrato Sarbapalli Md. Sazzad Hossain Zachary T. Gossage Zheng Li Alexander Urban Joaquín Rodríguez-López Artificial Intelligence-Aided Mapping of the Structure–Composition–Conductivity Relationships of Glass–Ceramic Lithium Thiophosphate Electrolytes Haoyue Guo Qian Wang Alexander Urban Nongnuch Artrith Understanding the Onset of Surface Degradation in LiNiO2 Cathodes Xinhao Li Qian Wang Haoyue Guo Nongnuch Artrith Alexander Urban Data-driven Approach to Parameterize SCAN+ U for an Accurate Description of 3d Transition Metal Oxide Thermochemistry Nongnuch Artrith José Antonio Garrido Torres Alexander Urban Mark S. Hybertsen Stacking‐Fault Enhanced Oxygen Redox in Li2MnO3 Xiang Li Xinhao Li Lisa Monluc Benjamin Chen Mingxue Tang Po‐Hsiu Chien Xuyong Feng Ivan Hung Zhehong Gan Alexander Urban Yan‐Yan Hu 2021 Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures Jose Antonio Garrido Torres Vahe Gharakhanyan Nongnuch Artrith Tobias Hoffmann Eegholm Alexander Urban Realizing continuous cation order-to-disorder tuning in a class of high-energy spinel-type Li-ion cathodes Zijian Cai Huiwen Ji Yang Ha Jue Liu Deok-Hwang Kwon Yaqian Zhang Alexander Urban Emily E Foley Raynald Giovine Hyunchul Kim Zhengyan Lun Tzu-Yang Huang Guobo Zeng Yu Chen Jingyang Wang Bryan D McCloskey Mahalingam Balasubramanian Raphaële J Clément Wanli Yang Gerbrand Ceder Anisotropic to Isotropic Transition in Monolayer Group-IV Tellurides Qian Wang Liyuan Wu Alexander Urban Huawei Cao Pengfei Lu Accelerated Atomistic Modeling of Solid-State Battery Materials With Machine Learning Haoyue Guo Qian Wang Annika Stuke Alexander Urban Nongnuch Artrith Strategies for the Construction of Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations April M. Miksch Tobias Morawietz Johannes Kästner Alexander Urban Nongnuch Artrith 2020 Potential and pH Dependence of the Buried Interface of Membrane-Coated Electrocatalysts Jianzhou Qu Alexander Urban Effect of fluorination and Li-excess on the Li migration barrier in Mn-based cathode materials Zinab Jadidi Tina Chen Penghao Xiao Alexander Urban Gerbrand Ceder Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide April M. Cooper Johannes Kästner Alexander Urban Nongnuch Artrith Understanding the origin of higher capacity for Ni-based disordered rock-salt cathodes Musa Ali Cambaz Alexander Urban Syed Atif Pervez Holger Geßwein Alexander Schiele Alexander A Guda Aram L. Bugaev Andrey Mazilkin Thomas Diemant R. Jürgen Behm Torsten Brezesinski Maximilian Fichtner Ultrahigh power and energy density in partially ordered lithium-ion cathode materials Huiwen Ji Jinpeng Wu Zijian Cai Jue Liu Deok-Hwang Kwon Hyunchul Kim Alexander Urban Joseph K. Papp Emily Foley Yaosen Tian Mahalingam Balasubramanian Haegyeom Kim Raphaële J. Clément Bryan D. McCloskey Wanli Yang Gerbrand Ceder Effect of Fluorination on Lithium Transport and Short‐Range Order in Disordered‐Rocksalt‐Type Lithium‐Ion Battery Cathodes Bin Ouyang Nongnuch Artrith Zhengyan Lun Zinab Jadidi Daniil A. Kitchaev Huiwen Ji Alexander Urban Gerbrand Ceder 2019 Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries Huiwen Ji Alexander Urban Daniil A. Kitchaev Deok-Hwang Kwon Nongnuch Artrith Colin Ophus Wenxuan Huang Zijian Cai Tan Shi Jae Chul Kim Gerbrand Ceder Atomic-scale factors that control the rate capability of nanostructured amorphous Si for high-energy-density batteries Nongnuch Artrith Alexander Urban Yan Wang Gerbrand Ceder 2018 Stoichiometric Layered Potassium Transition Metal Oxide for Rechargeable Potassium Batteries Haegyeom Kim Dong-Hwa Seo Alexander Urban Jinhyuk Lee Deok-Hwang Kwon Shou-Hang Bo Tan Shi Joseph K. Papp Bryan D. McCloskey Gerbrand Ceder An L0L1-norm compressive sensing paradigm for the construction of sparse predictive lattice models using mixed integer quadratic programming Wenxuan Huang Alexander Urban Penghao Xiao Ziqin Rong Hena Das Tina Chen Nongnuch Artrith Alexandra Toumar Gerbrand Ceder Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm Nongnuch Artrith Alexander Urban Gerbrand Ceder 2017 Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides Alexander Urban Aziz Abdellahi Stephen Dacek Nongnuch Artrith Gerbrand Ceder Featured Publication edit publication {{ name }} . . . Abstract Citation No resultsThere are no publications with the provided filters. Sort Publications By Keyword filter: {{ filter.label }}
Mechanism of the Layered-to-Spinel Phase Transformation in Li0.5NiO2 Cem Komurcuoglu Alan C. West Alexander Urban
Modeling ionic transport and disorder in crystalline electrodes using percolation theory Alexander Urban
Discovering melting temperature prediction models of inorganic solids by combining supervised and unsupervised learning Vahe Gharakhanyan Luke J. Wirth Jose A. Garrido Torres Ethan Eisenberg Ting Wang Dallas R. Trinkle Snigdhansu Chatterjee Alexander Urban
Atomic insights into the oxidative degradation mechanisms of sulfide solid electrolytes Chuntian Cao Matthew R. Carbone Cem Komurcuoglu Jagriti S. Shekhawat Kerry Sun Haoyue Guo Sizhan Liu Ke Chen Seong-Min Bak Yonghua Du Conan Weiland Xiao Tong Daniel A. Steingart Shinjae Yoo Nongnuch Artrith Alexander Urban Deyu Lu Feng Wang
Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes Haoyue Guo Matthew R Carbone Chuntian Cao Jianzhou Qu Yonghua Du Seong-Min Bak Conan Weiland Feng Wang Shinjae Yoo Nongnuch Artrith Alexander Urban Deyu Lu
Integrated Combinatorial Synthesis, Characterization, and Test Platform for Lithium-Ion Battery Cathode Materials Yunhao Xiao Panni Zheng Tairan Yang Sriya Karambor Chakravarty Joaquin Rodriguez-Lopez Alexander Urban Zheng Li
Constructing and Compressing Global Moment Descriptors from Local Atomic Environments Vahe Gharakhanyan Max Shirokawa Aalto Aminah Alsoulah Nongnuch Artrith Alexander Urban
Modeling ionic transport and disorder in crystalline electrodes using percolation theory Alexander Urban
Highly Sensitive Detection and Mapping of Incipient and Steady-State Oxygen Evolution from Operating Li-Ion Battery Cathodes via Scanning Electrochemical Microscopy Abhiroop Mishra Dipobrato Sarbapalli Md. Sazzad Hossain Zachary T. Gossage Zheng Li Alexander Urban Joaquín Rodríguez-López
Artificial Intelligence-Aided Mapping of the Structure–Composition–Conductivity Relationships of Glass–Ceramic Lithium Thiophosphate Electrolytes Haoyue Guo Qian Wang Alexander Urban Nongnuch Artrith
Understanding the Onset of Surface Degradation in LiNiO2 Cathodes Xinhao Li Qian Wang Haoyue Guo Nongnuch Artrith Alexander Urban
Data-driven Approach to Parameterize SCAN+ U for an Accurate Description of 3d Transition Metal Oxide Thermochemistry Nongnuch Artrith José Antonio Garrido Torres Alexander Urban Mark S. Hybertsen
Stacking‐Fault Enhanced Oxygen Redox in Li2MnO3 Xiang Li Xinhao Li Lisa Monluc Benjamin Chen Mingxue Tang Po‐Hsiu Chien Xuyong Feng Ivan Hung Zhehong Gan Alexander Urban Yan‐Yan Hu
Augmenting zero-Kelvin quantum mechanics with machine learning for the prediction of chemical reactions at high temperatures Jose Antonio Garrido Torres Vahe Gharakhanyan Nongnuch Artrith Tobias Hoffmann Eegholm Alexander Urban
Realizing continuous cation order-to-disorder tuning in a class of high-energy spinel-type Li-ion cathodes Zijian Cai Huiwen Ji Yang Ha Jue Liu Deok-Hwang Kwon Yaqian Zhang Alexander Urban Emily E Foley Raynald Giovine Hyunchul Kim Zhengyan Lun Tzu-Yang Huang Guobo Zeng Yu Chen Jingyang Wang Bryan D McCloskey Mahalingam Balasubramanian Raphaële J Clément Wanli Yang Gerbrand Ceder
Anisotropic to Isotropic Transition in Monolayer Group-IV Tellurides Qian Wang Liyuan Wu Alexander Urban Huawei Cao Pengfei Lu
Accelerated Atomistic Modeling of Solid-State Battery Materials With Machine Learning Haoyue Guo Qian Wang Annika Stuke Alexander Urban Nongnuch Artrith
Strategies for the Construction of Machine-Learning Potentials for Accurate and Efficient Atomic-Scale Simulations April M. Miksch Tobias Morawietz Johannes Kästner Alexander Urban Nongnuch Artrith
Potential and pH Dependence of the Buried Interface of Membrane-Coated Electrocatalysts Jianzhou Qu Alexander Urban
Effect of fluorination and Li-excess on the Li migration barrier in Mn-based cathode materials Zinab Jadidi Tina Chen Penghao Xiao Alexander Urban Gerbrand Ceder
Efficient training of ANN potentials by including atomic forces via Taylor expansion and application to water and a transition-metal oxide April M. Cooper Johannes Kästner Alexander Urban Nongnuch Artrith
Understanding the origin of higher capacity for Ni-based disordered rock-salt cathodes Musa Ali Cambaz Alexander Urban Syed Atif Pervez Holger Geßwein Alexander Schiele Alexander A Guda Aram L. Bugaev Andrey Mazilkin Thomas Diemant R. Jürgen Behm Torsten Brezesinski Maximilian Fichtner
Ultrahigh power and energy density in partially ordered lithium-ion cathode materials Huiwen Ji Jinpeng Wu Zijian Cai Jue Liu Deok-Hwang Kwon Hyunchul Kim Alexander Urban Joseph K. Papp Emily Foley Yaosen Tian Mahalingam Balasubramanian Haegyeom Kim Raphaële J. Clément Bryan D. McCloskey Wanli Yang Gerbrand Ceder
Effect of Fluorination on Lithium Transport and Short‐Range Order in Disordered‐Rocksalt‐Type Lithium‐Ion Battery Cathodes Bin Ouyang Nongnuch Artrith Zhengyan Lun Zinab Jadidi Daniil A. Kitchaev Huiwen Ji Alexander Urban Gerbrand Ceder
Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries Huiwen Ji Alexander Urban Daniil A. Kitchaev Deok-Hwang Kwon Nongnuch Artrith Colin Ophus Wenxuan Huang Zijian Cai Tan Shi Jae Chul Kim Gerbrand Ceder
Atomic-scale factors that control the rate capability of nanostructured amorphous Si for high-energy-density batteries Nongnuch Artrith Alexander Urban Yan Wang Gerbrand Ceder
Stoichiometric Layered Potassium Transition Metal Oxide for Rechargeable Potassium Batteries Haegyeom Kim Dong-Hwa Seo Alexander Urban Jinhyuk Lee Deok-Hwang Kwon Shou-Hang Bo Tan Shi Joseph K. Papp Bryan D. McCloskey Gerbrand Ceder
An L0L1-norm compressive sensing paradigm for the construction of sparse predictive lattice models using mixed integer quadratic programming Wenxuan Huang Alexander Urban Penghao Xiao Ziqin Rong Hena Das Tina Chen Nongnuch Artrith Alexandra Toumar Gerbrand Ceder
Constructing first-principles phase diagrams of amorphous LixSi using machine-learning-assisted sampling with an evolutionary algorithm Nongnuch Artrith Alexander Urban Gerbrand Ceder
Electronic-Structure Origin of Cation Disorder in Transition-Metal Oxides Alexander Urban Aziz Abdellahi Stephen Dacek Nongnuch Artrith Gerbrand Ceder