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All papers authored by Sambit Das

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2024 Vaidehi Menon

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, Sambit Das

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, Vikram Gavini, Liang Qi

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Atomistic simulations and machine learning of solute grain boundary segregation in Mg alloys at finite temperatures

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This paper was not found in any repository; the policy of its publisher is unknown or unclear.

2023 Sambit Das

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, Bikash Kanungo

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, Vishal Subramanian

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, Gourab Panigrahi

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, Phani Motamarri

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, Paul Zimmerman

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, Vikram Gavini

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Large-Scale Materials Modeling at Quantum Accuracy: Ab Initio Simulations of Quasicrystals and Interacting Extended Defects in Metallic Alloys

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Vikram Gavini

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, Stefano Baroni

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, David R. Bowler

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, Alexander Buccheri

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, James R. Chelikowsky

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, Sambit Das

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, William Dawson, Pietro Delugas

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, Claudia Draxl

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, Luigi Genovese

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, Paolo Giannozzi

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, Matteo Giantomassi and 26 other authors

Roadmap on electronic structure codes in the exascale era

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Pranav Kumar

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, Mohit M. Ludhwani, Sambit Das

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, Vikram Gavini

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, Anand Kanjarla, Ilaksh Adlakha

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Effect of hydrogen on plasticity of α-Fe: A multi-scale assessment

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Sambit Das

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, Vikram Gavini

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Accelerating self-consistent field iterations in Kohn-Sham density functional theory using a low-rank approximation of the dielectric matrix

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2022 Sambit Das

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, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini

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DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization

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Lulu Yao

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, Sambit Das

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, Xin Liu, Kai Wu, Yonghong Cheng, Vikram Gavini, Bing Xiao

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Modulating the microscopic lattice distortions through the Al-rich layers for boosting the ferroelectricity in Al:HfO₂ nanofilms

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2020 Phani Motamarri, Sambit Das

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, Shiva Rudraraju

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, Krishnendu Ghosh, Denis Davydov

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, Vikram Gavini

DFT-FE – A massively parallel adaptive finite-element code for large-scale density functional theory calculations

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2019 Sambit Das

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, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback

Fast, scalable and accurate finite-element based ab initio calculations using mixed precision computing

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2017 Sambit Das

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, Vikram Gavini

Electronic structure study of screw dislocation core energetics in Aluminum and core energetics informed forces in a dislocation aggregate

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2015 Sambit Das

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, Mrinal Iyer, Vikram Gavini

Real-space formulation of orbital-free density functional theory using finite-element discretization: The case for Al, Mg, and Al-Mg intermetallics

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