Showing 1–20 of 73 results
/ Date/ Name
Sep 27, 2019Semi-classical electronic transport properties of ternary compound AlGaAs$_2$: Role of different scattering mechanismsAug 21, 2020Tuning the lattice thermal conductivity in Bismuth Telluride through Cr-dopingMay 11, 2021Probing Photo-excited Charge Carrier Trapping and Defect Formation in Synergistic Doping of SrTiO3Jul 12, 2022A new palladium alloy with near-ideal hydrogen storage performanceOct 21, 2019Scaling relation for the adsorption energies at bimetallic magnetic surfaces: Role of surface magnetic moment and work-functionFeb 9, 2023Spin torques and anomalous velocity in spin textures induced by fast electron injection from topological ferromagnets: The role of gauge fieldsDec 15, 2013Novel magnetic arrangement and structural phase transition induced by spin-lattice coupling in multiferroicsMay 28, 2014Prediction of novel interface-driven spintronic effectsNov 20, 2023Customizing PBE Exchange-Correlation functionals: A comprehensive approach for band gap prediction in diverse semiconductorsJan 31, 2024A Hybrid Machine Learning Framework for Predicting Hydrogen Storage Capacities in Metal Hydrides: Unsupervised Feature Learning with Deep Neural NetworksApr 25, 2025Multi-site mixing and entropy stabilization of CsPbI$_{3}$ with potential application in photovoltaicsSep 22, 2025Role of Oxygen during Methane Oxidation on Pd$_1$/PdO$_1$@CeO$_2$ Surface: A Combined Density Functional Theory, Microkinetic, and Machine Learning ApproachMar 17, 2025Integrating Density Functional Theory with Deep Neural Networks for Accurate Voltage Prediction in Alkali-Metal-Ion Battery MaterialsOct 23, 2018Uncovering the puzzle of complex magnetism in Fe16N2: a first-principles based studyJun 23, 2022A general rule for predicting the magnetic moment of Cobalt-based Heusler compounds using compressed sensing and density functional theoryDec 31, 2009Dielectric properties and spin-phonon coupling in multiferroic double perovskite Bi$_2$CoMnO$_6$Oct 28, 2022Can magneto-transport properties provide insight into the functional groups in semiconducting MXenes?May 31, 2023Combining first-principles modeling and symbolic regression for designing efficient single-atom catalysts in Oxygen Evolution Reaction on Mo$_2$CO$_2$ MXenesMay 14, 2024Magnetization dynamics in skyrmions due to high-speed carrier injections from Dirac half-metalsMar 4, 2014Ultrafast switching of the electric polarization and magnetic chirality in BiFeO3 by an electric field