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Investigation of doping-defect interaction in Si doped (AlxGa1-x)2O3 integrating atom probe tomography and first principal calculation

J. Sarker, A. Sharma (April 2021, 2021 MRS Spring Meeting)
null (Ed.)
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SPARC: Simulation Package for Ab-initio Real-space Calculations

Q. Xu, A. Sharma (January 2020, ArXivorg)

We present SPARC: Simulation Package for Ab-initio Real-space Calculations. SPARC can perform Kohn-Sham density functional theory calculations for isolated systems such as molecules as well as extended systems such as crystals and surfaces, in both static and dynamic settings. It is straightforward to install/use and highly competitive with state- of-the-art planewave codes, demonstrating comparable performance on a small number of processors and increasing advantages as the number of processors grows. Notably, SPARC brings solution times down to a few seconds for systems with O(100 − 500) atoms on large- scale parallel computers, outperforming planewave counterparts by an order of magnitude and more.
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Open data from the first and second observing runs of Advanced LIGO and Advanced Virgo

https://doi.org/10.1016/j.softx.2021.100658

Rich Abbott; Thomas D. Abbott; Sheelu Abraham; Fausto Acernese; Kendall Ackley; Carl Adams; Rana X. Adhikari; Vaishali B. Adya; Christoph Affeldt; Michalis Agathos; et al (January 2021, SoftwareX)

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