6 citations · 6 across the 2 of their papers we have counts for
3 papers
GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code
Abhiraj Sharma, Alfredo Metere, Phanish Suryanarayana +3
We present a GPU-accelerated version of the real-space SPARC electronic structure code for performing Kohn-Sham density functional theory calculations within the local density and…
Formation of a New Archetypal Metal-Organic Framework from a Simple Monatomic Liquid
Alfredo Metere, Peter Oleynikov, Mikhail Dzugutov +1
We report a molecular-dynamics simulation of a single-component system of particles interacting via a spherically symmetric potential that is found to form, upon cooling from a liq…
Formation of a Columnar Liquid Crystal in a Simple One-Component System of Particles
Alfredo Metere, Tomas Oppelstrup, Sten Sarman +1
We report a molecular dynamics simulation demonstrating that a columnar liquid crystal, commonly formed by disc-shaped molecules, can be formed by identical particles interacting v…