activity
20152026
most citedDFT-FE -- A massively parallel adaptive finite-element code for large-scale density functional theory calculations

195 citations · 418 across the 17 of their papers we have counts for

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2 papers · 1 filter

physics.chem-ph2025

Field theoretic atomistics: Learning thermodynamic and variational surrogate to density functional theory

Sambit Das, Bikash Kanungo, Arghadwip Paul +1

The Hohenberg-Kohn (HK) theorem -- the bedrock of density functional theory (DFT) -- establishes a universal map from the external potential to the energy. It also relates the elec…

physics.comp-ph2025★ 1 cited

An Atomic Cluster Expansion Potential for Twisted Multilayer Graphene

Yangshuai Wang, Drake Clark, Sambit Das +5

Twisted multilayer graphene, characterized by its moiré patterns arising from inter-layer rotational misalignment, serves as a rich platform for exploring quantum phenomena. Machin…