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Ab initio molecular dynamics and materials design for embedded phase-change memory2021 npj Computational Materials article Materials Science Phase-change materials and chalcogenides Open access
Liang Sun, Yuxing Zhou, Xudong Wang, Yuhan Chen, Volker L. Deringer, Riccardo Mazzarello, +1 more
70citations -
Safe and sustainable by design of next generation chemicals and materials: SSbD4CheM project innovations in the textiles, cosmetic and automotive sectors2025 Computational and Structural Biotechnology Journal article Environmental Science Chemistry and Chemical Engineering Open access
Mansoor Ahmad Bhat, Tanja Radu, Ignacio Martín-Fabiani, Panagiotis D. Kolokathis, Anastasios G. Papadiamantis, Yvonne Kohl, +32 more
15citations -
Materials Design by Constructing Phase Diagrams for Defects2024 Advanced Materials article Materials Science Magnesium Alloys: Properties and Applications Open access
Xuyang Zhou, Prince Mathews, Benjamin Berkels, Wassilios J. Delis, Amel Shamseldeen Ali Alhassan, Philipp Keuter, +8 more
24citations -
Opportunities of combinatorial thin film materials design for the sustainable development of magnesium-based alloys2021 Scientific Reports article Materials Science Magnesium Alloys: Properties and Applications Open access
Marcus Hans, Philipp Keuter, Aparna Saksena, Janis A. Sälker, Markus Momma, Hauke Springer, +4 more
16citations -
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 -
An innovative approach to design SOFC air electrode materials: high entropy La 1−x Sr x (Co,Cr,Fe,Mn,Ni)O 3−δ ( x = 0, 0.1, 0.2, 0.3) perovskites synthesized by the sol–gel method2020 Journal of Materials Chemistry A article Materials Science Advancements in Solid Oxide Fuel Cells
Juliusz Dąbrowa, Andreas Falkenstein, Christian Günter Georg Schwab, Maria Szymczak, Marek Zajusz, Maciej Moździerz, +6 more
200citations -
Development of a cell design environment for bottom-up estimation of performance parameters for lithium-ion batteries and virtual cell design – ISEA Cell & Pack Database (ICPD)2023 Journal of Energy Storage article Engineering Advanced Battery Technologies Research Open access
Matthias Kuipers, Stephan Bihn, Mark D. Junker, Dirk Uwe Sauer
4citations -
Gene-editable materials for future transportation infrastructure: a review for polyurethane-based pavement2021 Journal of Infrastructure Preservation and Resilience article Engineering Asphalt Pavement Performance Evaluation Open access
Bin Hong, Guoyang Lu, Tianshuai Li, Jiao Lin, Dawei Wang, Markus Oeser
27citations -
New perspectives on carbon reinforced concrete structures—Why new composites need new design strategies2023 Civil Engineering Design article Engineering Structural Behavior of Reinforced Concrete Open access
Manfred Curbach, Josef Hegger, Jan Bielak, Christopher Schmidt, Sven Bosbach, Silke Scheerer, +29 more
19citations