Luis Casillas‐Trujillo

Experimental and theoretical evidence of charge transfer in multi-component alloys – how chemical interactions reduce atomic size mismatch

Luis Casillas‐Trujillo, Barbara Osinger, Rebecka Lindblad et al. · Materials Chemistry Frontiers · 2021 · 38 citations · Full text

Engineering, Charge Transfer, Electronic Structure +22

Compositional effects on stacking fault energies in Ni-based alloys using first-principles and atomistic simulations

Liubin Xu, Luis Casillas‐Trujillo, Yanfei Gao et al. · Computational Materials Science · 2021 · 24 citations

Materials Engineering, Materials Science, Compositional Effects +14

Machine-learning potentials for nanoscale simulations of tensile deformation and fracture in ceramics

Shuyao Lin, Luis Casillas‐Trujillo, Ferenc Tasnádi et al. · npj Computational Materials · 2024 · 21 citations · Full text

Materials Science, Engineering, Tensile Deformation +9

Intrinsic defects, nonstoichiometry, and aliovalent doping of ABO perovskite scintillators

Luis Casillas‐Trujillo, David A. Andersson, Boris Dorado et al. · physica status solidi (b) · 2014 · 17 citations

Engineering, Me Cations, Solid-state Chemistry +16

Dynamics of interaction between dislocations and point defects in bcc iron

Luis Casillas‐Trujillo, Andrew Ervin, Liubin Xu et al. · Physical Review Materials · 2018 · 15 citations · Full text

Materials Science, Point Defects, Engineering +15