19 citations · 20 across the 2 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2022★ 1 cited
Dislocations as natural quantum wires in Diamond
Sevim Polat Genlik, Roberto C. Myers, Maryam Ghazisaeidi
We study the electronic properties of the glide set of dislocations in diamond from first principles using hybrid exchange correlation functionals and find that the atomic-scale di…
cond-mat.mtrl-sci2020★ 19 cited
Efficient determination of solid-state phase equilibrium with the Mutli-Cell Monte Carlo method
Edwin Antillon, Maryam Ghazisaeidi
Building on our previously introduced Multi-cell Monte Carlo (MC)^2 method for modeling phase coexistence, this paper provides important improvements for efficient determination of…
cond-mat.mtrl-sci2018
Multi-Cell Monte Carlo Method for Phase Prediction
Changning Niu, You Rao, Wolfgang Windl +1
We propose a Multi-Cell Monte Carlo algorithm, or (MC)^2, for predicting stable phases in chemically complex crystalline systems. Free atomic transfer among cells is achieved via t…