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Natalio Mingo
Natalio Mingo
University of Grenoble
Materials science
Ab initio quantum chemistry methods
Transition metal
Thermodynamics
vibrational entropy
4
Papers
6
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Quantum Self-Consistent Ab-Initio Lattice Dynamics
2021
Computer Physics Communications
Ambroise van Roekeghem
Jesús Carrete
Natalio Mingo
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Modeling the high-temperature phase coexistence region of mixed transition metal oxides from ab initio calculations
2021
Suzanne K. Wallace
Ambroise van Roekeghem
Anton S. Bochkarev
Javier Carrasco
Alexander V. Shapeev
Natalio Mingo
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Citations (3)
Free energy of ( Co x Mn 1 − x ) 3 O 4 mixed phases from machine-learning-enhanced ab initio calculations
2021
Physical Review Materials
Suzanne K. Wallace
Anton S. Bochkarev
Ambroise van Roekeghem
Javier Carrasco
Alexander V. Shapeev
Natalio Mingo
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Citations (2)
Effects of Impurities on the Thermal and Electrical Transport Properties of Cubic Boron Arsenide
2021
Chemistry of Materials
Xi Chen
Chunhua Li
Youming Xu
Andrei Dolocan
Gareth Seward
Ambroise van Roekeghem
Fei Tian
Jie Xing
Shucheng Guo
Ni Ni
Zhifeng Ren
Jianshi Zhou
Natalio Mingo
David Broido
Li Shi
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Citations (1)
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