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ACS Applied Materials & Interfaces|October 16, 2024
Machine Learning-Enhanced Screening of Single-Atom Alloy Clusters for Nitrogen Reduction ReactionArunendu Das, Diptendu Roy, Amitabha Das, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|November 15, 2023
Unravelling CO2 Reduction Reaction Intermediates on High Entropy Alloy Catalysts: An Interpretable Machine Learning Approach to Establish Scaling RelationsDiptendu Roy, Shyama Charan Mandal, Amitabha Das, et al.Chemistry, an Asian Journal|March 13, 2023
Importance of Adatom on Pure Iron Catalyst Towards Electrocatalytic N2 Reduction ReactionArunendu Das, Sandeep Das, Biswarup PathakPhysical Chemistry Chemical Physics : PCCP|November 29, 2023
The electrocatalytic N2 reduction activity of core-shell iron nanoalloy catalysts: a density functional theory (DFT) studyArunendu Das, Sandeep Das, Biswarup PathakThe Journal of Physical Chemistry Letters|June 23, 2022
Machine Learning Assisted Exploration of High Entropy Alloy-Based Catalysts for Selective CO2 Reduction to MethanolDiptendu Roy, Shyama Charan Mandal, Biswarup PathakThe Journal of Physical Chemistry Letters|December 15, 2022
Machine Learning Aided Interpretable Approach for Single Nucleotide-Based DNA Sequencing using a Model NanoporeMilan Kumar Jena, Diptendu Roy, Biswarup PathakACS Applied Materials & Interfaces|November 17, 2021
Machine Learning-Driven High-Throughput Screening of Alloy-Based Catalysts for Selective CO2 Hydrogenation to MethanolDiptendu Roy, Shyama Charan Mandal, Biswarup PathakACS Physical Chemistry Au|March 1, 2023
Computational Screening of First-Row Transition-Metal Based Alloy Catalysts-Ligand Induced N2 Reduction Reaction SelectivityArunendu Das, Shyama Charan Mandal, Akhil S Nair, et al.Physical Chemistry Chemical Physics : PCCP|March 25, 2022
Mechanistic exploration of CO2 conversion to dimethoxymethane (DMM) using transition metal (Co, Ru) catalysts: an energy span modelAmitabha Das, Shyama Charan Mandal, Biswarup PathakNanoscale|April 17, 2023
Energy level alignments between organic and inorganic layers in 2D layered perovskites: conjugation vs. substituentEti Mahal, Shyama Charan Mandal, Diptendu Roy, et al.Pageof 18