105 citations · 381 across the 4 of their papers we have counts for
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Atomistics of vapor-liquid-solid nanowire growth
Hailong Wang, Luis A. Zepeda-Ruiz, George H. Gilmer +1
Vapor-liquid-solid (VLS) route and its variants are routinely used for scalable synthesis of semiconducting nanowires yet the fundamental growth processes remain unknown. Here, we…
A First-Passage Kinetic Monte Carlo Algorithm for Complex Diffusion-Reaction Systems
A. Donev, V. V. Bulatov, T. Oppelstrup +3
We develop an asynchronous event-driven First-Passage Kinetic Monte Carlo (FPKMC) algorithm for continuous time and space systems involving multiple diffusing and reacting species…
First-Passage Kinetic Monte Carlo method
T. Oppelstrup, V. V. Bulatov, A. Donev +3
We present a new efficient method for Monte Carlo simulations of diffusion-reaction processes. First introduced by us in [Phys. Rev. Lett., 97:230602, 2006], the new algorithm skip…
First-principles calculation of intrinsic defect formation volumes in silicon
Scott A. Centoni, Babak Sadigh, George H. Gilmer +3
We present an extensive first-principles study of the pressure dependence of the formation enthalpies of all the know vacancy and self-interstitial configurations in silicon, in ea…