Papers citing Accelerated data-driven materials science with the Materials Project
Computationally accelerated discovery of mixed metal compounds for chemical looping combustion and beyond
Energy & Environmental Science · 2025
Kunran Yang, Fanxing Li
Read original paper ↗ ·Evaluating the potential of CsBiSCl 2 as a solar absorber
EES solar. · 2025
Eilidh Louise Quinn, Hugh Lohan, Elita Tmava, Shiling Dong, Aron Walsh, Robert L. Z. Hoye
Read original paper ↗ ·Validation Authority Erosion in High-Velocity Computational Materials Innovation
Journal of Computational and Data-Driven Materials Engineering · 2025
Ahmed El-Kholy, Nour Abdelrahman, Karim Hassan
Read original paper ↗ ·Materials informatics: A review of AI and machine learning tools, platforms, data repositories, and applications to architectured porous materials
Materials Today Communications · 2025
Fatima Živić, Ana M. Kaplarevic-Malisic, Nenad Grujović, Boban S. Stojanovic, Milos R. Ivanovic
Read original paper ↗ ·Toward High-Voltage Cathodes for Zinc-Ion Batteries: Discovery Pipeline and Material Design Rules
Chemistry of Materials · 2025
Roberta Pascazio, Qian Chen, Haoming Howard Li, Aaron D. Kaplan, Kristin Aslaug Persson
Read original paper ↗ ·An automated framework for exploring and learning potential-energy surfaces
Nature Communications · 2025
Yuanbin Liu, Joe D. Morrow, Christina Ertural, Natascia L. Fragapane, John L. A. Gardner, Aakash Ashok Naik, Yuxing Zhou, Janine George, Volker L. Deringer
Read original paper ↗ ·The strong-weak adsorption pair motif of cu Fe bimetallic composite as an efficient catalyst for CO2 RR toward the C2product ethylene and ethanol
Journal of Electroanalytical Chemistry · 2025
Yiman Kang, Honglin Zhu, Miao Shui
Read original paper ↗ ·Ethylene carbonate decomposition on pristine and oxygen-deficient binary metal oxide surfaces of battery cathode coating
Materials Chemistry and Physics · 2025
Bernardus Rendy, Ganes Shukri, Muhammad Haris Mahyuddin, Fiki T. Akbar, Hermawan Kresno Dipojono, Febdian Rusydi, Adhitya Gandaryus Saputro
Read original paper ↗ ·Darwin4Matter: A Platform Integrating Machine Learning and Quantum Chemistry for New Materials Design
Chemical Research in Chinese Universities · 2025
Hui Rong, Yili Chen, Yili Chen, Shubo Zhang, Lin Fang Shen, Yue Chen, Lin Fang Shen, Wei‐Hai Fang
Read original paper ↗ ·AI is dreaming up millions of new materials. Are they any good?
Nature · 2025
Mark Peplow
Read original paper ↗ ·Accelerated Discovery of Cost-Effective Photoabsorber Materials for Near-Infrared (λ = 1600 nm) Photodetector Applications
ACS Materials Au · 2025
Wayne W. Zhao, Ruoxi Yang, Aaron D. Kaplan, Kristin Aslaug Persson
Read original paper ↗ ·Cross-functional transferability in foundation machine learning interatomic potentials
npj Computational Materials · 2025
Xu Huang, Bowen Deng, Peichen Zhong, Aaron D. Kaplan, Kristin Aslaug Persson, Gerbrand Ceder
Read original paper ↗ ·Electrochemical Stability and Reduction Mechanism of LLZO Interfaces in Li Batteries from First Principles
Journal of the American Chemical Society · 2025
Junsoo Park, Stephen Xie, Zhigang Wu, John Lawson
Read original paper ↗ ·Bandgap prediction and design of halide double perovskites via ensemble machine learning
Chemical Engineering Journal · 2025
Dongwen Yang, Shulin Luo, Fahai Zhong, Lingrui Wang, Sanjun Wang, Wenyuan Zhang, Chunyao Niu, Chong Li, Fei Wang
Read original paper ↗ ·Atomistic Polymer Modeling: Recent Advances and Challenges in Building and Parametrization Workflows
Macromolecules · 2025
Hannah N. Turney, Micaela Matta
Read original paper ↗ ·Strategies to Suppress Thermal Conductivity in Half-Heusler Compounds for Thermoelectric Applications: A Comprehensive Review
ACS Applied Energy Materials · 2025
Sayan Paul, Supriya Ghosal, Swapan Kumar Pati
Read original paper ↗ ·Building an affordable self-driving lab: Practical machine learning experiments for physics education using Internet-of-Things
APL Machine Learning · 2025
Yang Liu, Quan Lei, Xiaolong He, Yizhe Xue, Kexin He, Haitao Yang, Yong Wang, Xian Zhang, Li Yang, Yichun Zhou, Ruiqi Hu, Yong Jun Xie
Read original paper ↗ ·From Classical Ferroelectricity to Emerging Low‐Dimensional Phases
Advanced Physics Research · 2025
Marius Adrian Huşanu, Dana Georgeta Popescu
Read original paper ↗ ·C'mon! Time to Change How We Share Research Products
Propellants Explosives Pyrotechnics · 2025
Alejandro H. Strachan
Read original paper ↗ ·exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design
The Journal of Open Source Software · 2025
Maxim Moraru, Weiyi Xia, Zhuo Ye, Feng Zhang, Yongxin Yao, Ying Wai Li, Cai‐Zhuang Wang
Read original paper ↗ ·Leveraging AI Innovation in Nanomaterials, Synthesis, Characterization, and Device Design
Advances in computational intelligence and robotics book series · 2025
Ashok Vaseashta, Gor Gevorgyan, Surik Khudaverdyan, Gagik Y. Ayvazyan, Mane Khachatryan, C. Berlic, Adriana Elena Balan, Ioan Stamatin
Read original paper ↗ ·Exploring materials data through collaboration: 2024 KRICT ChemDX Hackathon
Journal of Materials Informatics · 2025
Su‐Hyun Yoo, Andre K. Y. Low, Jose Recatala‐Gomez, Harikrishna Sahu, Chiho Kim, Joonyoung F. Joung, Hoje Chun, Katerina A. Christofidou, Joshua Berry, Michail Minotakis, Kisung Kang, Kwang-soo Kim, Gaheun Shin, Hyunwoo Jang, Sanghyuk Lee, Minkyu Park, B. S. Kim, Kihyun Shin, Jungho Shin, Aloysius Soon, Joshua Schrier, Woosun Jang
Read original paper ↗ ·Mapping the transient phase diagram of titanium suboxide (TiOx) thin films
Materials Today Advances · 2025
Brian M. Everhart, Drake Austin, Ming-Chiang Chang, Ross G. Werth, Mark Anayee, Benjamin M. Robertson, Arthur R. Woll, Michael Altvater, Jonathan Ludwick, Tyson C. Back, Chris Muratore, Michael O. Thompson, Nicholas R. Glavin
Read original paper ↗ ·A simple exercise of structure correlation to investigate tetrachlorocuprate geometric preferences and discuss data mining literacy
Structural Chemistry · 2025
Alessia Bacchi
Read original paper ↗ ·Guiding design and performance of nonviral nucleic acid delivery vehicles via machine learning
Advanced Drug Delivery Reviews · 2025
John A. Hutchinson, Sidharth Panda, Plinio D. Rosales, Janey P Sowada, Miles S. Willis, Michael C. Leyden, Pródromos Daoutidis, Theresa M. Reineke
Read original paper ↗ ·Tailoring Heat Transfer at Silica–Water Interfaces via Hydroxyl and Methyl Surface Groups
Langmuir · 2025
Viktor Mandrolko, Konstantinos Termentzidis, David Lacroix, Mykola Isaiev
Read original paper ↗ ·Tunable luminescence and energy dynamics in Tb3+, Eu3+ co-doped Y2Zr2O7 phosphors for high contrast latent fingerprint imaging
Journal of Alloys and Compounds · 2025
B.V. Naveen Kumar, Nagarasanakote Jayaramu Shivaramu, Robin Edward Kroon
Read original paper ↗ ·Evolution of Structure and Magnetism in FeCl 2 and FeCl 3 : From Clusters to Monolayers
The Journal of Physical Chemistry A · 2025
Mehmet Emin Kılıç, Manish Kumar Mohanta, Puru Jena
Read original paper ↗ ·Theoretical design and exploration of novel quaternary chalcogenides Cu3MScSe4 (M = Zn, Cd, Hg) for photovoltaic applications
Materials Today Chemistry · 2025
Diwen Liu, Hongyan Zeng, Hongyan Zeng, Fang Liu, Huihui Zeng, Huihui Zeng, Yinliang Huang, Rongjian Sa
Read original paper ↗ ·A Self-Supervised Graph Attention Network for Accelerating the Discovery of High-Conductivity Solid-State Electrolytes
International Conference on Mechatronic Engineering and Artificial Intelligence (MEAI) · 2025
Tiantian Gao, Yufeng Wu
Read original paper ↗ ·Product design, synthesis, and lab automation with The World Avatar
Current Opinion in Chemical Engineering · 2025
Simon D. Rihm, Aleksandar Kondinski, Markus Kraft
Read original paper ↗ ·DFT validated machine learning model for elastic property prediction and mechanical classification of ternary cubic alloys
Physica Scripta · 2025
S Dahal, Bhupal Guragain, S. K. Yadav, Narayan Prasad Adhikari
Read original paper ↗ ·DCC: A Model-Free Frame to Evaluate Data Set Quality
Journal of Chemical Information and Modeling · 2025
Chunhui Xie, Yunqi Li
Read original paper ↗ ·SMC-X: A Distributed, Scalable Monte Carlo Simulation Method for Chemically Complex Alloys
Journal of Chemical Theory and Computation · 2025
Xianglin Liu, Kai Yang, Fanli Zhou, Pengxiang Xu
Read original paper ↗ ·Two-dimensional layered metal oxides (2D LMOs) for next-generation electronic devices
Nanoscale Advances · 2025
Arpit Verma, Alka Rani, Bal Chandra Yadav
Read original paper ↗ ·Lithiation-dependent solid electrolyte interphase nucleation pathways in Si/Li6PS5Cl interfaces uncovered by machine learning-accelerated simulations
Energy storage materials · 2025
Zhuoyuan Zheng, Kaixian Wang, Zhengfeng Zhu, Yixian Dai, Shulei Wang, Zheng Ying Wu, Jie Zhou, Yusong Zhu
Read original paper ↗ ·A dataset of Curie and Néel temperatures auto-generated with ChemDataExtractor and the Snowball algorithm
Scientific Data · 2025
Charles R. Kelly, Jacqueline M. Cole
Read original paper ↗ ·Laser directed energy deposition of the refractory compositionally complex alloy TMT-8Cr–10Al: Processability, microstructural evolution and phase formation
Journal of Materials Research and Technology · 2025
Alexander Rieschl, Leonie Düfert, Florian Nahr, Nils Ellendt, Olaf Stelling, Steffen Neumeier, Thomas Niendorf, Michael Schmidt, Dominic Bartels
Read original paper ↗ ·Architecture of 3D magnetic domain wall memory for suppressing bit-shift error
Journal of Applied Physics · 2025
Pham Nam Hai, Takanori Shirokura, Nguyen Huynh Duy Khang
Read original paper ↗ ·Real-space Hubbard-corrected density functional theory
The Journal of Chemical Physics · 2025
Sayan Bhowmik, Andrew James Medford, Phanish Suryanarayana
Read original paper ↗ ·Machine-Learning-Guided Insights into Solid-Electrolyte Interphase Conductivity: Are Amorphous Lithium Fluorophosphates the Key?
ACS Energy Letters · 2025
Peichen Zhong, Kristin Aslaug Persson
Read original paper ↗ ·Beyond big data in quantum chemistry
Nature Chemical Engineering · 2025
Andrew Rosen
Read original paper ↗ ·Elastic tensor-derived properties of composition-dependent disordered refractory binary alloys using DFPT
Modelling and Simulation in Materials Science and Engineering · 2025
Surya T. Bijjala, Susan R. Atlas, Pankaj Kumar
Read original paper ↗ ·Facet-Dependent Doping and Dopant-Dependent Faceting in Si-Doped GaAsSb Nanowires
Crystal Growth & Design · 2025
Christopher E. Mead, Richard Zell, Jake E. DeRiseis, Hyowon W. Jeong, Tobias Schreitmüller, Hamidreza M. Esmaielpour, Sebastian Sturm, Maria K. Y. Chan, Knut Müller‐Caspary, Gregor Koblmüller, Lincoln J. Lauhon
Read original paper ↗ ·Cross-sectional microstructure observation of YBa2Cu3O7-δ multifilament films fabricated on Nb stripes
Materials Today Communications · 2025
T. Wada, H. Fujimoto, Y. Kawahara, Akiyoshi Matsumoto, S.Ooi, M. Tachiki, Ryo Teranishi
Read original paper ↗ ·Non-equilibrium restructurings in catalysis: A chemical space odyssey
MRS Communications · 2025
Zisheng Zhang, X. Zhou
Read original paper ↗ ·Ammonia Synthesis via Chemical Looping Using Nano-Confined Lithium Hydride in Alloy Matrix
Hydrogen · 2025
Koki Tsunematsu, Hiroki Miyaoka, Takayuki Ichikawa
Read original paper ↗ ·Contemporary DFT: learning from traditional and recent trends for the development and assessment of accurate exchange–correlation functionals
Physical Chemistry Chemical Physics · 2025
Éric A. G. Brémond, Ángel José Pérez-Jiménez, Carlo Adamo, J. C. Sancho-Garcı́a
Read original paper ↗ ·Challenges and strategies for hydrogen storage and carbon dioxide capture using metal-organic framework: Synergizing experimental and machine learning approach
Coordination Chemistry Reviews · 2025
Kushal Dubey, Devi Amrita Ray, Soumyadarshi Rath, Kajari Chatterjee, Akhilesh Kumar Singh
Read original paper ↗ ·Decoding plasticity in van der Waals crystals via causality-driven interpretable machine learning
Nano Research · 2025
Xinyu Chen, Qian Chen, Liang Ma, Qionghua Zhou, Jinlan Wang
Read original paper ↗ ·