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Computing formation enthalpies through an explainable machine learning method: the case of lanthanide orthophosphates solid solutions2024 Frontiers in Applied Mathematics and Statistics article Materials Science Machine Learning in Materials Science Open access
Edoardo Di Napoli, Xinzhe Wu, Thomas Bornhake, Piotr M. Kowalski
1citations -
Time-dependent density-functional theory molecular-dynamics study on amorphization of Sc-Sb-Te alloy under optical excitation2020 npj Computational Materials article Materials Science Phase-change materials and chalcogenides Open access
Xuepeng Wang, Xianbin Li, Nian‐Ke Chen, Junhyeok Bang, Ryky Nelson, Christina Ertural, +3 more
48citations -
Modeling and simulation of microstructure in metallic systems based on multi-physics approaches2022 npj Computational Materials article Materials Science Microstructure and mechanical properties Open access
Jaber Rezaei Mianroodi, Pratheek Shanthraj, Chuanlai Liu, Samad Vakili, Sharan Roongta, Nima Hamidi Siboni, +6 more
37citations -
Towards the design of artificial sensing materials via quantum-informed explainable AI2026 Journal of Cheminformatics article Materials Science Machine Learning in Materials Science Open access
Li Chen, Leonardo Rafael Medrano Sandonas, Shirong Huang, Alexander Croy, Gianaurelio Cuniberti
2citations -
Finite element implementation of novel low-order continuum models for the dynamics of a mass-in-mass lattice with long-range interactions: A discrete-continuum-discrete approach2citations
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Coarse-grained physics-based modelling for tape casting of fuel-electrode supports in Solid Oxide Cells2025 Journal of Power Sources article Materials Science Advancements in Solid Oxide Fuel Cells Open access
Tan Le Dinh, Mohammed Alabdali, Franco M. Zanotto, Hartmut Schlenz, Norbert Heribert Menzler, Olivier Guillon, +1 more
1citations -
Contactless Spin Switch Sensing by Chemo‐Electric Gating of Graphene2020 Advanced Materials article Materials Science Graphene research and applications Open access cited by 4 patents
Erik P. van Geest, Kh. Shakouri, Wangyang Fu, Vincent Robert, Viorica Tudor, Sylvestre A. Bonnet, +1 more
50citations -
Predicting localised corrosion and mechanical performance of a PEO surface modified rare earth magnesium alloy for implant use through in-silico modelling2023 Bioactive Materials article Materials Science Magnesium Alloys: Properties and Applications Open access
Kerstin van Gaalen, Conall Quinn, Marek Weiler, Felix Gremse, Felix Benn, P.E. McHugh, +2 more
19citations