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Matches in SemOpenAlex for { <https://semopenalex.org/work/W2000957843> ?p ?o ?g. }

• W2000957843 abstract "We study in a systematic way the complex sequence of the high-pressure phases of silicon obtained upon compression by combining an accurate high-dimensional neural network representation of the density-functional theory potential-energy surface with the metadynamics scheme. Starting from the thermodynamically stable diamond structure at ambient conditions we are able to identify all structural phase transitions up to the highest-pressure fcc phase at about 100 GPa. The results are in excellent agreement with experiment. The method developed promises to be of great value in the study of inorganic solids, including those having metallic phases." @default.
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• W2000957843 date "2008-05-05" @default.
• W2000957843 modified "2023-09-30" @default.
• W2000957843 title "Metadynamics Simulations of the High-Pressure Phases of Silicon Employing a High-Dimensional Neural Network Potential" @default.
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• W2000957843 doi "https://doi.org/10.1103/physrevlett.100.185501" @default.
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