Citing Articles For: Cluster expansions of multicomponent ionic materials: Formalism and methodology

Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding

Susumu Fujii, Junji Hyodo, Kazuki Shitara, Akihide Kuwabara, Shusuke Kasamatsu, and Yoshihiro Yamazaki

Science and Technology of Advanced Materials 25 2416383 (2024)

Construction and Sampling of Alloy Cluster Expansions—A Tutorial

Pernilla Ekborg-Tanner, Petter Rosander, Erik Fransson, and Paul Erhart

PRX Energy 3 042001 (2024)

Accelerating optimal elemental configuration search in crystal using Ising machine

Kazuhide Ichikawa, Satoru Ohuchi, Koki Ueno, and Tomoyasu Yokoyama

Phys. Rev. Research 6 033321 (2024)

Impact of temperature on short-range charge ordering in LiFePO4/FePO4

Souzan Hammadi, Jolla Kullgren, Matthew J. Wolf, Daniel Brandell, and Peter Broqvist

Phys. Rev. B 109 144103 (2024)

The cluster decomposition of the configurational energy of multicomponent alloys

Luis Barroso-Luque and Gerbrand Ceder

npj Comput Mater 10 158 (2024)

Bayesian optimization acquisition functions for accelerated search of cluster expansion convex hull of multi-component alloys

Dongsheng Wen, Victoria Tucker, and Michael S. Titus

npj Comput Mater 10 210 (2024)

Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface

Viktor C. Birschitzky, Igor Sokolović, Michael Prezzi, Krisztián Palotás, Martin Setvín, Ulrike Diebold, Michele Reticcioli, and Cesare Franchini

npj Comput Mater 10 89 (2024)

The rise of high-entropy battery materials

Bin Ouyang and Yan Zeng

Nat Commun 15 973 (2024)

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Peichen Zhong, Bowen Deng, Tanjin He, Zhengyan Lun, and Gerbrand Ceder

Joule 8 1837 (2024)

Unveiling the Structure of Oxygen Vacancies in Bulk Ceria and the Physical Mechanisms behind Their Formation

Zheng Li, Ning Xu, Yujing Zhang, Wen Liu, Jiaqian Wang, Meiliang Ma, Xiaolan Fu, Xiaojuan Hu, Wenwu Xu, and Zhong-Kang Han

J. Phys. Chem. Lett. 15 5868 (2024)

Data-driven physics-informed descriptors of cation ordering in multicomponent perovskite oxides

Jiayu Peng, James Damewood, and Rafael Gómez-Bombarelli

Cell Reports Physical Science 5 101942 (2024)

Thermodynamic Stability Prediction of Triple Transition‐Metal (Ti−Mo−V)3C2${\rm (Ti-Mo-V)}_3{\rm C}_2$ MXenes via Cluster Correlation‐Based Machine Learning

Chayanon Atthapak, Annop Ektarawong, Teerachote Pakornchote, Björn Alling, and Thiti Bovornratanaraks

Advcd Theory and Sims 7 2300965 (2024)

Role of Al Vacancies in Thermodynamic Stability and Elastic Properties of AlB2${\rm AlB}_{2}$‐type (Ta,Al)B2${\rm B}_{2}$: A First‐Principles Study

Annop Ektarawong, Chayanon Atthapak, and Björn Alling

Advcd Theory and Sims 7 2400421 (2024)

The Microscopic Mechanism of Lithiation and Delithiation in the Ag/C Buffer Layer for Anode‐Free Solid‐State Batteries

Fengyu Xie, Mouhamad Said Diallo, Haegyeom Kim, Qingsong Howard Tu, and Gerbrand Ceder

Advanced Energy Materials 14 2302960 (2024)

Effect of Cation Disorder on Lithium Transport in Halide Superionic Conductors

Peichen Zhong, Sunny Gupta, Bowen Deng, KyuJung Jun, and Gerbrand Ceder

ACS Energy Lett. 9 2775 (2024)

The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes

Vincent C. Wu, Peichen Zhong, Julia Ong, Eric Yoshida, Andrew Kwon, Gerbrand Ceder, and Raphaële J. Clément

ACS Energy Lett. 9 3027 (2024)

A machine learning based computational approach for prediction of cation distribution in spinel crystal

Ying Fang, Paul R. Ohodnicki, and Guofeng Wang

The Journal of Chemical Physics 158 194102 (2023)

Configuration sampling in multi-component multi-sublattice systems enabled by ab Initio Configuration Sampling Toolkit (abICS)

Shusuke Kasamatsu, Yuichi Motoyama, Kazuyoshi Yoshimi, and Tatsumi Aoyama

Science and Technology of Advanced Materials: Methods 3 2284128 (2023)

Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials

Alexander G. Squires and David O. Scanlon

J. Mater. Chem. A 11 13765 (2023)

Select page:

Physical Review B

Filter

Articles Citing

Cluster expansions of multicomponent ionic materials: Formalism and methodology

Emerging computational and machine learning methodologies for proton-conducting oxides: materials discovery and fundamental understanding

Construction and Sampling of Alloy Cluster Expansions—A Tutorial

Accelerating optimal elemental configuration search in crystal using Ising machine

Impact of temperature on short-range charge ordering in LiFePO4/FePO4

The cluster decomposition of the configurational energy of multicomponent alloys

Bayesian optimization acquisition functions for accelerated search of cluster expansion convex hull of multi-component alloys

Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface

The rise of high-entropy battery materials

Deep learning of experimental electrochemistry for battery cathodes across diverse compositions

Unveiling the Structure of Oxygen Vacancies in Bulk Ceria and the Physical Mechanisms behind Their Formation

Data-driven physics-informed descriptors of cation ordering in multicomponent perovskite oxides

Thermodynamic Stability Prediction of Triple Transition‐Metal (Ti−Mo−V)3C2${\rm (Ti-Mo-V)}_3{\rm C}_2$ MXenes via Cluster Correlation‐Based Machine Learning

Role of Al Vacancies in Thermodynamic Stability and Elastic Properties of AlB2${\rm AlB}_{2}$‐type (Ta,Al)B2${\rm B}_{2}$: A First‐Principles Study

The Microscopic Mechanism of Lithiation and Delithiation in the Ag/C Buffer Layer for Anode‐Free Solid‐State Batteries

Effect of Cation Disorder on Lithium Transport in Halide Superionic Conductors

The Limited Incorporation and Role of Fluorine in Mn-rich Disordered Rocksalt Cathodes

A machine learning based computational approach for prediction of cation distribution in spinel crystal

Configuration sampling in multi-component multi-sublattice systems enabled by ab Initio Configuration Sampling Toolkit (abICS)

Modeling Intercalation Chemistry with Multiredox Reactions by Sparse Lattice Models in Disordered Rocksalt Cathodes

CHGNet as a pretrained universal neural network potential for charge-informed atomistic modelling

sparse-lm: Sparse linear regression models in Python

Understanding the limits to short-range order suppression in many-component disordered rock salt lithium-ion cathode materials

Ab initiostudy of short-range ordering in vanadium-based disordered rocksalt structures

Data driven design of compositionally complex energy materials

Crystal Structures and Phase Stability of the Li2S–P2S5System from First Principles

Filter

Filter

Article Lookup

Enter a citation