Papers citing Accelerated data-driven materials science with the Materials Project
LASPAI: AI-powered platform for the future atomic simulation
Acta Physico-Chimica Sinica · 2025-12-31
Han-Zhi Luo, Qi-Ming Liang, Zi-Xing Guo, X. H. Xie, Jin-Peng Tang, Tong Guan, Yefei Li, Sicong Ma, Yingchen Xu, Zhen-Xiong Wang, Cheng Shang, Zhi‐Pan Liu
Read original paper ↗ ·A comprehensive assessment of diffusion coefficients of the fcc solid solution of 50 binary alloy systems using the single-parameter Z-Z-Z model
SSRN Electronic Journal · 2026-01-01
Ching Chen, Chuangye Wang, Ji‐Cheng Zhao
Read original paper ↗ ·A Comprehensive Review and Prospect of Structural Design and Safety Assessment Frameworks for Composite Marine Structures
SSRN Electronic Journal · 2026-01-01
Junyi Zheng, Yuchao Yuan, Wenyong Tang, Gang Wang
Read original paper ↗ ·A Decade of Data-Driven Materials Engineering: Progress, Remaining Gaps, and Unlearned Lessons
Journal of Computational and Data-Driven Materials Engineering · 2026-01-01
Mohamed Salah, Youssef Karim, Ahmed Nabil, Mahmoud Adel, Karim Hassan
Read original paper ↗ ·Advanced high-entropy materials for fuel cells and water electrolysis
Chemical Society Reviews · 2026-01-01
Minyuan Liu, Xiaoyan Luo, Guoqing Wang, Gebrehiwot Gebreslassie, Halefom G. Desta, Jianjian Zhang, Jianjian Zhang, Bin Lin, Wei Yan, Jiujun Zhang, Jiujun Zhang
Read original paper ↗ ·Al–Al2O3 interpenetrating phase composites by binder jetting and pressureless infiltration of AlSi10Mg
SSRN Electronic Journal · 2026-01-01
Francesco Bertolini, Marco Mariani, Carmen Galassi, Nora Francesca Maria Lecis
Read original paper ↗ ·Alkali metal halide flux dependence of precipitated phases demonstrated by Mn(NbS 2 ) 4 single crystal growth
CrystEngComm · 2026-01-01
Kohei Horiguchi, Dan Mouri, Masanori Nagao, Yuki Maruyama, Satoshi Watauchi
Read original paper ↗ ·Alkali metal halide flux dependence of precipitated phases into Mn(NbS2)4 single crystal growth
SSRN Electronic Journal · 2026-01-01
Kohei Horiguchi, Dan Mouri, Masanori Nagao, Yuki Maruyama, Satoshi Watauchi
Read original paper ↗ ·Breaking the Barriers of Molecular Dynamics With Deep‐Learning: Opportunities, Pitfalls, and How to Navigate Them
Wiley Interdisciplinary Reviews Computational Molecular Science · 2026-01-01
Klara Bonneau, Aldo S. Pasos-Trejo, Michael Plainer, Luca Sagresti, Jacopo Venturin, Iryna Zaporozhets, Alessandro Caruso, Edoardo Rolando, Andrea Guljas, Leon Klein, Maximilian Schebek, Filippo Albani, Raquel López-Ríos de Castro, Zakariya El‐Machachi, Lorenzo Giambagli, Cecilia Clementi
Read original paper ↗ ·Ca/Si dependence of inner-sphere Sr–Si coordination in calcium silicate hydrates and aged Portland cement: a Sr K-edge X-ray absorption fine structure study
SSRN Electronic Journal · 2026-01-01
Saki Ozawa, Daisuke MINATO
Read original paper ↗ ·Carbonate Supply Pathway and Sparger Design as Control Parameters in Li2CO3 Reactive Crystallisation from Li2SO4
SSRN Electronic Journal · 2026-01-01
Florian Klapal, Stefanie Flatscher, Jonáš Dařílek, Markus Wierer, Manuel C. J. Schachinger, Mark Werner Hlawitschka
Read original paper ↗ ·Comparative theoretical study of layered perovskites Sr n +1 Ti n O 3 n +1 ( n = 1, 2, 3) and SrTiO 3 from photocatalytic perspectives
New Journal of Chemistry · 2026-01-01
Soumadip Banerjee, Kazutaka Nishiguchi, Seiichiro Ten‐no
Read original paper ↗ ·Computational data as the fuel for AI in chemistry
Chemical Science · 2026-01-01
Ross James Urquhart, Tell Tuttle
Read original paper ↗ ·Computational evaluation of artificial coating materials for improved interface stability in all-solid-state alkali metal batteries
Journal of Materials Chemistry A · 2026-01-01
Xinlin Wang, Ren Li, Yizhou Zhu
Read original paper ↗ ·Computational investigation of ternary Mg–Co–B compounds as cathode materials for Mg-ion batteries
Physical Chemistry Chemical Physics · 2026-01-01
Somnath Paitandi, Shivansh Upadhyay, Kalishankar Bhattacharyya
Read original paper ↗ ·Coupled hydrolysis control of Zr/Si precursors enabling tetragonal ZrO2 stabilization in Pd-based catalysts for optimized methane combustion
SSRN Electronic Journal · 2026-01-01
Mingcan Chen, Jia Lin, Lizhen Huang, Fei Huang, Xiaohua Chen, Ying Zheng
Read original paper ↗ ·Current Trends in Solid State Ionics: Protonics and Reactors
SSRN Electronic Journal · 2026-01-01
Sandrine Ricote, Rotraut Merkle, Koji Amezawa, Francesco Ciucci, Federico Smeacetto, Sonia Escolástico
Read original paper ↗ ·Data-driven design strategies for chemically stabilizing cathode–coating interfaces employing interpretable machine learning
Journal of Materials Chemistry A · 2026-01-01
Sang-Hyeon Park, Donghee Kang, Hyun-Ki Yoon, Yusong Choi, Jongseo Lee
Read original paper ↗ ·Deciphering functional differentiation of elements in high-entropy spinel oxides as ultralong-life anodes in lithium-ion batteries
Chemical Science · 2026-01-01
Han‐Hao Liu, Jia‐Lin Yang, Zhen‐Yi Gu, Yue Liu, Xiao‐Tong Wang, Changtu Zheng, Changshan Xu, Dai‐Huo Liu, Wei Fen Guo, Xing‐Long Wu
Read original paper ↗ ·Depth-dependent phase evolution and multicomponent nitride formation during plasma nitriding of a Zr-Ti-Nb-Al compositionally complex alloy
SSRN Electronic Journal · 2026-01-01
Karolina Stępniak, Dariusz Marek Jarzabek, Piotr Jenczyk, Aleksandra Królicka, Elżbieta Gadalińska, Yong Zhang, Piotr Denis, Krzysztof Kulikowski
Read original paper ↗ ·Development of a sodium negative electrode based on sol–gel derived amorphous TiO 2
Journal of Materials Chemistry A · 2026-01-01
Quynh Nguyen, Gugulethu Charmaine Nkala, Kodi Thurber, Keyue Liang, Andrea Zambotti, Randy Chen, Yuzhang Li, Sarah H. Tolbert, Johanna Nelson Weker, Bruce Dunn
Read original paper ↗ ·DFT-Informed Machine Learning Prediction of Actinide Doping Energies in Transition-Metal and Lanthanide Oxides
SSRN Electronic Journal · 2026-01-01
Haokai Zhang, Zhenzhen Wang, Xueyun Gao, Xingfa Gao
Read original paper ↗ ·Digital infrastructure to support and share daily high-throughput experimental materials research
Faraday Discussions · 2026-01-01
Lena Angelika Mittmann, Hampus Näsström, Eugene P. Bertin, Sarthak Kapoor, Inês Diogo, Anat Itzhak, Giulia Dalmonte, Rasmus Thorup Danielsen, Malthe Emil Skytte, Holger von Wenckstern, Andrea Crovetto, José A Márquez
Read original paper ↗ ·Dimensionality and Electronic Structure in Square-Net-Derived Bonding Motifs: A Tributeto Hoffmann’s Orbital Perspective
SSRN Electronic Journal · 2026-01-01
Emily Grace Ward, Gabrielle Carrel, Fatmagül Katmer, Leslie Mareike Schoop
Read original paper ↗ ·Effect of Nitrogen Content and Ion Bombardment on Microstructure and Mechanical Properties of CrN and CrNbN Films
SSRN Electronic Journal · 2026-01-01
Sagar Bhaurao Jathar, Sanath Kumar Honnali, Arnaud le Febvrier, Johan Nyman, Daniel Lundin, Grzegorz Greczyński, Magnus Odén, Per Eklund
Read original paper ↗ ·Electrical properties of Te-rich TaTe x Se 2− x single crystals
Physical Chemistry Chemical Physics · 2026-01-01
Emily Doucet, Jan‐Hendrik Pöhls
Read original paper ↗ ·Entropy in materials design: modelling entropic stabilisation of crystalline materials
CrystEngComm · 2026-01-01
Kasper Tolborg
Read original paper ↗ ·Exchange functionals trained on exact exchange for molecular and solid-state systems
Physical Chemistry Chemical Physics · 2026-01-01
Agung Danu Wijaya, Dedy Farhamsa
Read original paper ↗ ·Higher-order phonon scattering and lattice thermal conductivity prediction via machine learning
Journal of Materials Chemistry A · 2026-01-01
Shengxian Liu, Kan Tang, Jian Xin Zhou, Zhimei Sun
Read original paper ↗ ·Hydrostatic (isotropic) strain engineering of optoelectronic and mechanical properties in lead-free inorganic antiperovskites Ba$_3$PnBr$_3$ (Pn = N, P, As, Sb)
SSRN Electronic Journal · 2026-01-01
Constantinos Simserides, Reza Habibpourbisfar, Fatemeh Nemati, Elahe Javanshoor
Read original paper ↗ ·Improved Predictive Performance and Interpretability for Mesomorphic Neural Networks Using Local Fidelity Regularization
SSRN Electronic Journal · 2026-01-01
Hugo L. Hammer, Vajira Lasantha Thambawita, Kristoffer H. Hellton, Pål Halvorsen
Read original paper ↗ ·In silico screening of metal–organic frameworks for CO 2 photo-hydrogenation
Nanoscale · 2026-01-01
Moin Khwaja, Adrian Chun Minh Loy, Takuya Harada
Read original paper ↗ ·Influence of Zr addition on the characteristics and formation mechanism of inclusions in K4169 nickel-based superalloy
Journal of Alloys and Compounds · 2026-01-01
Huimin Liu, linzhu wang, Likun Long, Fansheng Zeng, Junqi Li, Chaoyi Chen, Xiang Li, 冉星
Read original paper ↗ ·Informatics for thermodynamics: Stability to synthesizability
Elsevier eBooks · 2026-01-01
Krishna Rajan
Read original paper ↗ ·Machine learning-assisted screening of copper–cerium bimetallic catalysts for tetracycline degradation
Journal of Materials Chemistry A · 2026-01-01
Qingyu Huang, Fei Huang, Bingxu Chen, Yang Yu, Na Jiang, Chuang Yang, Yuchen Wang, Yongjun Zhang
Read original paper ↗ ·Materials discovery is a composition problem: the case for agentic AI over bigger models
Digital Discovery · 2026-01-01
Conrard Giresse Tetsassi Feugmo, Toby Mcconville
Read original paper ↗ ·Metallic Nature and Optical Anisotropy in CsLa: A CASTEP‐Based Investigation
Advances in Condensed Matter Physics · 2026-01-01
M. Mizanur Rahman, Nilufer Yesmin Tanisa, Asif Parvez, Mst Afroza Akter
Read original paper ↗ ·Molybdenum oxidation state governs Brønsted–Lewis acid synergy in dimethyl oxalate transesterification
Catalysis Science & Technology · 2026-01-01
Xiaotong Dong, Shikun Li, Yubin Wang, Wendi Ding, Baorui Wang, Liang Zhou, Zhenghua Dai, Mei Zhong, Bin Dai
Read original paper ↗ ·Predicting the electrical conductivity of doped TiO2 via machine learning with special attention enhancement on first principle featuring data
SSRN Electronic Journal · 2026-01-01
Deru Wei, Hu Sun, Zhutian Xu, Diankai Qiu, Peiyun Yi, Linfa Peng
Read original paper ↗ ·Prediction of Mg–Zn binary intermetallics from first-principles calculations: stoichiometries, crystal structures, and mechanical and electronic properties
Canadian Journal of Physics · 2026-01-01
Wenbo Lou, Dongyan Liu, Xuesi Li, Depeng Zhang, Hui Zhang
Read original paper ↗ ·Predictive autoencoder-transformer model of Cu oxidation state from EELS and XAS spectra
Digital Discovery · 2026-01-01
Brian Hyun-jong Lee, Linna Qiao, Samuel Gleason, Guangwen Zhou, Xiaohui Qu, Judith C. Yang, Jim Ciston, Deyu Lu
Read original paper ↗ ·Redox-active halide materials for cathode applications
Energy & Environmental Science · 2026-01-01
Zhuohan Li, Gerbrand Ceder
Read original paper ↗ ·Review on Recent Development of Artificial Intelligence and Machine Learning Approaches in Energy Applications
Studies in Infrastructure and Control · 2026-01-01
Muhammad Harussani Moklis, Cries Avian, Eric Kolor, Md. Rubel, Jeffrey S. Cross
Read original paper ↗ ·Spectroscopy-informed XANES–PXRD framework for multi-property prediction and structure inference
Chemical Science · 2026-01-01
Yang Wang, Siyuan Zhao, Man Luo, Haojun Zeng, Yi Feng, Daobin Liu, Yan Huang, Jun Jiang
Read original paper ↗ ·Sustaining the growth of the materials informatics ecosystem
Elsevier eBooks · 2026-01-01
Krishna Rajan
Read original paper ↗ ·Temperature- and atmosphere-driven phase evolution in sol–gel synthesized barium nickelate powders
Materials Advances · 2026-01-01
Ian C. Graham, Jeong‐Woo Sun, Kayla Y. Chuong, Anna M. Österholm, Lauren M. Garten
Read original paper ↗ ·The exploration of enhanced methods in data science and applications in materials science
Oxford Open Materials Science · 2026-01-01
Raymond Wu, Sirirat Sae Lim, Haishang Wu, Susumu Otsuki
Read original paper ↗ ·Thermodynamic assessment of machine learning models for solid-state synthesis prediction
Materials Horizons · 2026-01-01
Jane Schlesinger, Simon Hjaltason, Nathan J. Szymanski, Christopher J. Bartel
Read original paper ↗ ·Towards sustainable exploration of chemical spaces with machine learning
Digital Discovery · 2026-01-01
Leonardo Rafael Medrano Sandonas, David Balcells, Tom Barnowsky, Anton S. Bochkarev, Jacqueline Cole, Volker L. Deringer, Werner Dobrautz, Adrian Ehrenhofer, Thorben Frank, Pascal Friederich, Rico Friedrich, Janine George, Luca M. Ghiringhelli, Alejandra Hinostroza Caldas, Veronika Jurásková, Hannes Kneiding, Yury Lysogorskiy, Johannes T. Margraf, Hanna Türk, O. Anatole von Lilienfield, Milica Todorović, Alexandre Tkatchenko, Mariana Rossi, Gianaurelio Cuniberti
Read original paper ↗ ·Wide Bandgap Oxychalcogenide With Low Effective Mass, Strong Excitonic Effects, and High Figure of Merit: BaTa 4 Te 3 O 17
Advanced Theory and Simulations · 2026-01-01
G. Thamizharasan, R.D. Eithiraj
Read original paper ↗ ·