基本信息
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职业迁徙
个人简介
My scientific activity focuses on the modeling, based on first-principles computational techniques,
of materials of scientific relevance and technological interest, with particular focus on transitionmetal compounds. The research work I have developed through my career, encompasses the
study of a broad variety of systems, including materials for Li-ion batteries, semiconductor
nanoparticles, materials for thin film solar cells, magnetic shape-memory alloys, materials with high
magnetization density, transition-metal minerals of the Earth’s mantle, transparent conductive
oxides, sensitizing complexes used as dyes for organic solar cells, catalytic systems hosted in
porous crystals (zeolites and metal-organic frameworks) for the synthesis, purification and
conversion of liquid and gas fuels. Besides their technological relevance, these systems have
attracted my interest for the importance that electronic correlations have in determining their
properties and behavior. In fact, a very relevant part of my work also hinges around the
development of advanced corrective functionals able to improve the accuracy of current
approximations to density-functional theory (DFT) in the modeling of materials characterized by
strongly localized valence electrons and possibly, strong correlations. This activity will be
fundamental to enable a reliable and quantitatively predictive use of first-principles
computational techniques, e.g. on high-throughput platforms, for the identification and
optimization of materials with properties very well tuned on specific technological applications.
研究兴趣
论文共 62 篇作者统计合作学者相似作者
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引用量
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期刊级别
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PRX Energyno. 1 (2024): 013007
Bulletin of the American Physical Society (2021)
引用0浏览0引用
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Julian Fanghanel,Quinn Campbell,Catherine K. Badding,Huaiyu Wang,Jared Mondschein,Yihuang Xiong, Nicole Hall,Kriti Seth,Andrés Molina Villarino,Xavier Quintana,Tiffany Rivera,Nathan Smith,Megan E. Penrod,Iurii Timrov,Matteo Cococcioni,Senorpe Asem-Hiablie,Venkatraman Gopalan,Héctor D. Abruña,Raymond E. Schaak,Ismaïla Dabo
引用23浏览0引用
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arXiv (Cornell University) (2020)
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Physical Review Bno. 9 (2019): 094102
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作者统计
#Papers: 62
#Citation: 15326
H-Index: 27
G-Index: 62
Sociability: 5
Diversity: 0
Activity: 0
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