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Frontispiece: Discovering Intermetallics Through Synthesis, Computation, and Data‐Driven Analysis
Author(s) -
Lotfi Sogol,
Brgoch Jakoah
Publication year - 2020
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202084062
Subject(s) - intermetallic , characterization (materials science) , computation , focus (optics) , computer science , materials science , nanotechnology , algorithm , physics , metallurgy , alloy , optics
New approaches that build on the traditional methods for materials synthesis and characterization are discussed with a specific focus on realizing novel intermetallics. Indeed, advances in the computational modeling of solids using density functional theory in combination with structure prediction algorithms have led to new high‐pressure phases, functional intermetallics, and aided experimental efforts. Furthermore, the advent of data‐centered methodologies has provided new opportunities to rapidly predict crystal structures, physical properties, and the existence of unknown compounds. For more details see the Minireview by S. Lotfi and J. Brgoch et al. on page 8689 ff.