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20242026
most citedReal-space Hubbard-corrected density functional theory

1 citations · 1 across the 5 of their papers we have counts for

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cond-mat.mtrl-sci2026

Bulk Boundary Condition for Surface Calculations in Density Functional Theory

Sayan Bhowmik, Andrew J Medford, Phanish Suryanarayana

We present a bulk boundary condition formalism for surface calculations in Kohn--Sham density functional theory. The approach exploits the nearsightedness of electronic interaction…

cond-mat.mtrl-sci2026

Electronic manifolds for extrapolative alloy discovery

Pranoy Ray, Sayan Bhowmik, Phanish Suryanarayana +2

This study presents a computationally efficient framework for accelerated alloy discovery that uses the non-interacting electron density to capture intrinsic structure-property rel…