Manjari Jain

activity

20202025

most citedMoS

_{2}

and Janus (MoSSe) Based 2D van der Waals heterostructures: Emerging Direct Z-scheme Photocatalysts

61 citations · 112 across the 13 of their papers we have counts for

collaborators

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2 papers · 1 filter

cond-mat.mtrl-sci2025

Accelerating point defect photo-emission calculations with machine learning interatomic potentials

Kartikeya Sharma, Antoine Loew, Haiyuan Wang +4

We introduce a computational framework leveraging universal machine learning interatomic potentials (MLIPs) to dramatically accelerate the calculation of photoluminescence (PL) spe…

cond-mat.mtrl-sci2025

Exploring the role of four-phonon scattering in the lattice thermal transport of LaMoN $_{3}$

Manjari Jain, Sanchi Monga, Saswata Bhattacharya

In this work, we systematically investigate the lattice thermal conductivity ( $κ_{L}$ ) of LaMoN $_{3}$ in the $C$ 2/ $c$ and $R$ 3 $c$ phases using first-principles calculations combined wi…

Accelerating point defect photo-emission calculations with machine learning interatomic potentials

Exploring the role of four-phonon scattering in the lattice thermal transport of LaMoN3​

Exploring the role of four-phonon scattering in the lattice thermal transport of LaMoN $_{3}$