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Publication date: 5 February 2025Source: Computational Materials Science, Volume 249Author(s): Balaram Thakur, Xuejun Gong, Andrea Dal Corso
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Publication date: 5 February 2025Source: Computational Materials Science, Volume 249Author(s): N. Jampaiboon, C. Atthapak, W. Sukmas, S. Khamkaeo, T. Bovornratanaraks, B. Alling, A. Ektarawong
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Publication date: 5 February 2025Source: Computational Materials Science, Volume 249Author(s): Mohnish Harwani, Juan C. Verduzco, Brian H. Lee, Alejandro Strachan
View ArticleUnraveling the role of temperature on the onset of ejecta formation at atomic...
Publication date: 5 February 2025Source: Computational Materials Science, Volume 249Author(s): Marco J. Echeverria, Alison M. Saunders, Robert E. Rudd, Tomorr Haxhimali, Saryu J. Fensin, Avinash M....
View ArticleFirst-principles prediction of high-performance thermoelectric nitrides
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View ArticleMechanical behavior of planar β-borophene under different loadings: Insights...
Publication date: 5 February 2025Source: Computational Materials Science, Volume 249Author(s): Yantao Yang, Tongwei Han, Yunyi Sun, Xuanzheng Li, Xiaoyan Zhang
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Publication date: 20 February 2025Source: Computational Materials Science, Volume 250Author(s): Wan-Fei Cai, Dong-Hui Xu, Laicai Li, Zhen-Fan Sun
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View ArticleMagnetic phases and electron–phonon coupling in La3Ni2O7 under pressure
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View ArticleTheoretical investigation of stability, electronic structure and strain...
Publication date: 20 February 2025Source: Computational Materials Science, Volume 250Author(s): Pei-Long Yang, Jia-Tong Duan, Yong-Jie Hao, Zhe-Yan Tu, Hu Zhou, Ze-Bin Li, Lian-Bi Li, Gang Wu, Li-Xun Song
View ArticleControllable electronic and transport properties of the GeTe/SnS...
Publication date: 20 February 2025Source: Computational Materials Science, Volume 250Author(s): Yuxuan Li, Yuliang Mao
View ArticleNovel single layers of holey crystalline strcutures of Hf8S12 with diverse...
Publication date: 20 February 2025Source: Computational Materials Science, Volume 250Author(s): Tayfun Kutlu, Onur Ercem, Mehmet Yagmurcukardes, Hasan Sahin
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View ArticleMachine learning assisted development of Heusler alloys for high magnetic moment
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View ArticleNumerical simulation method for the laser powder bed fusion process by...
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Publication date: 20 February 2025Source: Computational Materials Science, Volume 250Author(s): K. Nithish Sriram, A. Basherrudin Mahmud Ahmed
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