Sambit Das

activity

20152021

most citedLi

_{x}

CoO

_{2}

phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories

3 citations · 3 across the 2 of their papers we have counts for

collaborators

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cond-mat.mtrl-sci2021★ 3 cited

Li $_{x}$ CoO $_{2}$ phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories

Gregory H. Teichert, Sambit Das, Muratahan Aykol +3

Li $_{x} T M$ O $_{2}$ (TM={Ni, Co, Mn}) are promising cathodes for Li-ion batteries, whose electrochemical cycling performance is strongly governed by crystal structure and phase stability…

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

We propose a local real-space formulation for orbital-free DFT with density dependent kinetic energy functionals and a unified variational framework for computing the configuration…

Lix​CoO2​ phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories

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

Li $_{x}$ CoO $_{2}$ phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories