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The Hiphive Package for the Extraction of High‐Order Force Constants by Machine Learning
Eriksson, Fredrik, Fransson, Erik, Erhart, Paul
Published in Advanced theory and simulations (01.05.2019)
Published in Advanced theory and simulations (01.05.2019)
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Journal Article
Martini 3 Coarse‐Grained Force Field: Small Molecules
Alessandri, Riccardo, Barnoud, Jonathan, Gertsen, Anders S., Patmanidis, Ilias, de Vries, Alex H., Souza, Paulo C. T., Marrink, Siewert J.
Published in Advanced theory and simulations (01.01.2022)
Published in Advanced theory and simulations (01.01.2022)
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Journal Article
Topology Optimization of Photonic and Phononic Crystals and Metamaterials: A Review
Li, Weibai, Meng, Fei, Chen, Yafeng, Li, Yang fan, Huang, Xiaodong
Published in Advanced theory and simulations (01.07.2019)
Published in Advanced theory and simulations (01.07.2019)
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Journal Article
ICET – A Python Library for Constructing and Sampling Alloy Cluster Expansions
Ångqvist, Mattias, Muñoz, William A., Rahm, J. Magnus, Fransson, Erik, Durniak, Céline, Rozyczko, Piotr, Rod, Thomas H., Erhart, Paul
Published in Advanced theory and simulations (01.07.2019)
Published in Advanced theory and simulations (01.07.2019)
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Journal Article
New Opportunity: Machine Learning for Polymer Materials Design and Discovery
Xu, Pengcheng, Chen, Huimin, Li, Minjie, Lu, Wencong
Published in Advanced theory and simulations (01.05.2022)
Published in Advanced theory and simulations (01.05.2022)
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Journal Article
Investigation of Defects in Cs2SnI6‐Based Double Perovskite Solar Cells Via SCAPS‐1D
Porwal, Shivam, Paul, Mrittika, Dixit, Himanshu, Mishra, Snehangshu, Singh, Trilok
Published in Advanced theory and simulations (01.09.2022)
Published in Advanced theory and simulations (01.09.2022)
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Journal Article
Enhanced Hardness in High‐Entropy Carbides through Atomic Randomness
Wang, Yichen, Csanádi, Tamás, Zhang, Hangfeng, Dusza, Ján, Reece, Michael J., Zhang, Rui‐Zhi
Published in Advanced theory and simulations (01.09.2020)
Published in Advanced theory and simulations (01.09.2020)
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Journal Article
Machine‐Learning Designs of Anisotropic Digital Coding Metasurfaces
Zhang, Qian, Liu, Che, Wan, Xiang, Zhang, Lei, Liu, Shuo, Yang, Yan, Cui, Tie Jun
Published in Advanced theory and simulations (01.02.2019)
Published in Advanced theory and simulations (01.02.2019)
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Journal Article
Energy Absorption Properties of Periodic and Stochastic 3D Lattice Materials
Mueller, Jochen, Matlack, Kathryn H., Shea, Kristina, Daraio, Chiara
Published in Advanced theory and simulations (01.10.2019)
Published in Advanced theory and simulations (01.10.2019)
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Journal Article
Ultra‐Wideband, Polarization‐Independent, Wide‐Angle Multilayer Swastika‐Shaped Metamaterial Solar Energy Absorber with Absorption Prediction using Machine Learning
Patel, Shobhit K., Surve, Jaymit, Jadeja, Rajendrasinh, Katkar, Vijay, Parmar, Juveriya, Ahmed, Kawsar
Published in Advanced theory and simulations (01.07.2022)
Published in Advanced theory and simulations (01.07.2022)
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Journal Article
Computational Modeling of Nanoparticle Coalescence
Grammatikopoulos, Panagiotis, Sowwan, Mukhles, Kioseoglou, Joseph
Published in Advanced theory and simulations (01.06.2019)
Published in Advanced theory and simulations (01.06.2019)
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Journal Article