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Nanotechnology|April 17, 2024
Magneto-transport in the monolayer MoS<sub>2</sub>material system for high-performance field-effect transistor applicationsAnup Kumar Mandia, Rohit Kumar, Seung-Cheol Lee, et al.Nanoscale|June 5, 2023
Can magnetotransport properties provide insight into the functional groups in semiconducting MXenes?Namitha Anna Koshi, Anup Kumar Mandia, Bhaskaran Muralidharan, et al.Small Methods|January 2, 2026
Integrating Density Functional Theory with Deep Neural Networks for Accurate Voltage Prediction in Alkali-Metal-Ion Battery MaterialsSk Mujaffar Hossain, Namitha Anna Koshi, Seung-Cheol Lee, et al.Physical Chemistry Chemical Physics : PCCP|February 19, 2026
O<sub>2</sub>-assisted methane oxidation on single-atom Pd@SSZ-13: a combined first-principles and microkinetic studyAnuroopa Behatha, Shalini Tomar, Hojin Jeong, et al.Journal of Chemical Theory and Computation|June 20, 2023
Chemical Bonding in Large Systems Using Projected Population Analysis from Real-Space Density Functional Theory CalculationsKartick Ramakrishnan, Sai Krishna Kishore Nori, Seung-Cheol Lee, et al.Materials Horizons|March 16, 2026
Dynamic surface reconstruction governs the hydrogen evolution activity of Mo<sub>2</sub>C electrocatalysts in alkaline mediaPalash Jyoti Gogoi, Chandraraj Alex, Swetarekha Ram, et al.Small (Weinheim an Der Bergstrasse, Germany)|April 23, 2025
Unraveling the Synergy of Interfacial Engineering in In Situ Prepared NiO/NdNiO<sub>3</sub> for ppb-Level SO<sub>2</sub> Sensing: Mechanistic and First-Principles InsightsVishnu G Nath, Shalini Tomar, Nikhil N Rao, et al.Physical Review Letters|March 10, 2012
Atomistic spin dynamic method with both damping and moment of inertia effects included from first principlesSatadeep Bhattacharjee, Lars Nordström, Jonas FranssonPhysical Review Letters|April 28, 2009
Engineering multiferroism in CaMnO3Satadeep Bhattacharjee, Eric Bousquet, Philippe GhosezACS Applied Materials & Interfaces|February 8, 2024
Unveiling Valence State-Dependent Photocatalytic Water Splitting Activity and Photocathodic Behavior in Visible Light-Active Iridium-Doped BaTiO<sub>3</sub>Sujana Chandrappa, Stephen Nagaraju Myakala, Namitha Anna Koshi, et al.Pageof 18