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papers

Publications (2)

cond-mat.mtrl-sci2015

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

Sambit Das, Mrinal Iyer, Vikram Gavini

cond-mat.mtrl-sci2017

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

Sambit Das, Vikram Gavini