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ACS Applied Materials & Interfaces|May 12, 2025
A Hybrid Machine Learning Framework for Predicting Hydrogen Storage Capacities in Metal Hydrides: Unsupervised Feature Learning with Deep Neural NetworksSatadeep Bhattacharjee, Pritam Das, Swetarekha Ram, et al.The Journal of Chemical Physics|March 16, 2021
Population analysis with Wannier orbitalsSudipta Kundu, Satadeep Bhattacharjee, Seung-Cheol Lee, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|January 8, 2020
Transition metal substituted Fe<sub>2</sub>P: potential candidate for MRAM applicationSoumya S Bhat, Enamullah, Seung-Cheol Lee, et al.The Journal of Physical Chemistry. A|December 7, 2019
Machine Learning and Scaling Laws for Prediction of Accurate Adsorption EnergySanjay Nayak, Satadeep Bhattacharjee, Jung-Hae Choi, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|April 17, 2018
Role of zero-point effects in stabilizing the ground state structure of bulk Fe<sub>2</sub>PSoumya S Bhat, Kapil Gupta, Satadeep Bhattacharjee, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|May 10, 2019
Inducing half metallicity with alloying in Heusler Compound CoFeMnSbUpendra Kumar, P V Sreenivasa Reddy, Satadeep Bhattacharjee, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|May 18, 2019
Ab initio semi-classical electronic transport in ZnSe: the role of inelastic scattering mechanismsAnup Kumar Mandia, Renuka Patnaik, Bhaskaran Muralidharan, et al.Physical Chemistry Chemical Physics : PCCP|February 1, 2023
Computational design of novel MAX phase alloys as potential hydrogen storage media combining first principles and cluster expansion methodsPritam Das, Krishnamohan Thekkepat, Young-Su Lee, et al.ACS Applied Materials & Interfaces|September 7, 2023
Combining First-Principles Modeling and Symbolic Regression for Designing Efficient Single-Atom Catalysts in the Oxygen Evolution Reaction on Mo<sub>2</sub>CO<sub>2</sub> MXenesSwetarekha Ram, Gwan Hyun Choi, Albert S Lee, et al.Journal of Physics. Condensed Matter : an Institute of Physics Journal|December 5, 2019
Semi-classical electronic transport properties of ternary compound AlGaAs<sub>2</sub>: role of different scattering mechanismsSoubhik Chakrabarty, Anup Kumar Mandia, Bhaskaran Muralidharan, et al.Pageof 18