Publications by authors named "Abhiraj Sharma"

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GPU acceleration of hybrid functional calculations in the SPARC electronic structure code.
Xin Jing, Abhiraj Sharma, John E Pask, Phanish Suryanarayana

J Chem Phys· May 2025

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Calculation of phonons in real-space density functional theory.
Abhiraj Sharma, Phanish Suryanarayana

Phys Rev E· October 2023

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GPU acceleration of local and semilocal density functional calculations in the SPARC electronic structure code.
Abhiraj Sharma, Alfredo Metere, Phanish Suryanarayana, Lucas Erlandson, Edmond Chow

J Chem Phys· May 2023

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Properties of carbon up to 10 million kelvin from Kohn-Sham density functional theory molecular dynamics.
Mandy Bethkenhagen, Abhiraj Sharma, Phanish Suryanarayana, John E Pask, Babak Sadigh

Phys Rev E· January 2023

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Torsional strain engineering of transition metal dichalcogenide nanotubes: anstudy.
Arpit Bhardwaj, Abhiraj Sharma, Phanish Suryanarayana

Nanotechnology· September 2021

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Torsional moduli of transition metal dichalcogenide nanotubes from first principles.
Arpit Bhardwaj, Abhiraj Sharma, Phanish Suryanarayana

Nanotechnology· April 2021

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Real-space formulation of the stress tensor for O(N) density functional theory: Application to high temperature calculations.
Abhiraj Sharma, Sebastien Hamel, Mandy Bethkenhagen, John E Pask, Phanish Suryanarayana

J Chem Phys· July 2020

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On the calculation of the stress tensor in real-space Kohn-Sham density functional theory.
Abhiraj Sharma, Phanish Suryanarayana

J Chem Phys· November 2018

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