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cond-mat.dis-nn2019
Disorder by design: A data-driven approach to amorphous semiconductors without total-energy functionals
Dil K. Limbu, Stephen R. Elliott, Raymond Atta-Fynn +1
This paper addresses a difficult inverse problem that involves the reconstruction of a three-dimensional model of tetrahedral amorphous semiconductors via inversion of diffraction…
cond-mat.dis-nn2019
Atomistic simulation of nearly defect-free models of amorphous silicon: An information-based approach
Dil K. Limbu, Raymond Atta-Fynn, Parthapratim Biswas
We present an information-based total-energy optimization method to produce nearly defect-free structural models of amorphous silicon. Using geometrical, structural and topological…