Profile | Dr. Biswarup Pathak

Machine Learning:

Nanoclusters | Machine Learning | CO2 Reduction | Batteries | DNA Sequencing

★. Machine Learning-Assisted Screening of Nanocluster Electrocatalysts: Mapping and Reshaping the Activity Volcano for ORR, Rahul K. Sharma, Milan K. Jena, Harpriya Minhas and Biswarup Pathak, ACS Applied Materials & Interfaces, 2024.

★. Automated-Screening Oriented Electric Sensing of Vitamin B1 Using Machine Learning Aided Solid-State Nanopore, Sneha Mittal, Milan K. Jena and Biswarup Pathak, The Journal of Physical Chemistry B, 2024.

★. Machine Learning-Enhanced Screening of Single-Atom Alloy Clusters for Nitrogen Reduction Reaction, Arunendu Das,^$ Diptendu Roy,^$ Amitabha Das^$ and Biswarup Pathak, ACS Applied Materials & Interfaces, 16, 43, 58648-58656, 2024. [$Authors contributed equally]

★. Effect of Graphene Electrode Functionalization on Machine Learning-Aided Single Nucleotide Classification, Mohd Rashid, Milan K. Jena, Sneha Mittal and Biswarup Pathak, Nanoscale, 16, 20202-20215, 2024.

★. Conformal Active Learning Aided Screening of Ligand Protected Cu-Nanoclusters for CO₂ Reduction Reactions, Diptendu Roy, Amitabha Das and Biswarup Pathak, Journal of Materials Chemistry A, 12, 29022-29032, 2024.

★. Rattling Induced Bonding Hierarchy in Li-Cu-Ti Chalcotitanates for Enhanced Thermoelectric Efficiency: A Machine Learning Potential Approach, Harpriya Minhas, Sandeep Das, Rahul K. Sharma and Biswarup Pathak, Journal of Materials Chemistry A, 12, 25988-25999, 2024.

★. Harnessing the Potential of Machine Learning to Optimize the Activity of Cu-Based Dual Atom Catalysts for CO₂ Reduction Reaction, Amitabha Das, Diptendu Roy, Souvik Manna and Biswarup Pathak, ACS Materials Letters, 2024.
|Front Cover Page Article

★. Integration of Artificial Intelligence and Quantum Transport Towards Stereoselective Identification of Carbohydrate Isomers, Sneha Mittal, Milan K. Jena and Biswarup Pathak, ACS Central Science, 10, 9, 1689-1702, 2024.
|Front Cover Page Article

★. Integration of Density Functional Theory and Machine Learning for Electrolyte Optimization in High-Voltage Dual-Ion Battery Design, Poulami Paul, Sandeep Das, Souvik Manna, Surya S. Manna and Biswarup Pathak, ACS Applied Materials & Interfaces , 16, 33, 43591-43601, 2024.

★. Integrated Supervised and Unsupervised Machine Learning Approach to Map the Electrochemical Windows Over 4,500 Solvents for Battery Applications, Souvik Manna, Surya S. Manna and Biswarup Pathak, ACS Applied Materials & Interfaces , 16, 32, 42138-42152, 2024.

★. Machine Learning Empowered Next Generation DNA Sequencing: Perspective and Prospectus, Sneha Mittal, Milan K. Jena and Biswarup Pathak, Chemical Science(Perspective), 15, 12169-12188, 2024.

★. Machine Learning Driven Inverse Design and Role of Dopant for Tunning Thermoelectric Efficiency, Harpriya Minhas, Milan K. Jena, Rahul K. Sharma and Biswarup Pathak, ACS Applied Electronic Materials, 6, 8, 5815-5826, 2024.

★. Machine Learning Prediction and Classification of Transmission Functions for Rapid DNA Sequencing in Hybrid Nanopore, Souptik Pandit, Milan K. Jena, Sneha Mittal and Biswarup Pathak, ACS Applied Nano Materials, 7, 14, 17120-17132, 2024.

★. Machine Learning Assisted Direct RNA Sequencing with Epigenetic RNA Modifications Detection via Quantum Tunneling, Sneha Mittal, Milan K. Jena and Biswarup Pathak, Analytical Chemistry, 96, 28, 11516-11524, 2024.
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★. Precision Basecalling of Single DNA Nucleotide from Overlapped Transmission Readouts with Machine Learning Aided Solid-State Nanogap, Milan K. Jena, Sneha Mittal and Biswarup Pathak, ACS Applied Materials & Interfaces,16, 23, 29891-29901, 2024.

★. Unlocking Efficiency of Nonaqueous Li-Air Batteries through Synergistic Effect of Dual Metal Site Catalysts: An Interpretable Machine Learning Approach, Nishchal Bharadwaj, Surya S. Manna, Milan K. Jena, Diptendu Roy and Biswarup Pathak, Journal of Materials Chemistry A, 12, 15115-15126, 2024.

★. Machine Learning-based Screening of Mn-PNP Catalysts for CO₂ Reduction Reaction Using Region-wise Ligand-encoded Feature Matrix, Amitabha Das, Diptendu Roy, Shyama C. Mandal and Biswarup Pathak, Energy Advances, 3, 854-860, 2024.

★. Machine Learning Driven Ionic Liquids as Electrolytes for the Advancement of High-Voltage Dual-Ion Battery, Surya S. Manna and Biswarup Pathak, Chemistry of Materials, 36, 7, 3191-3204, 2024.

★. Machine Learning Assisted Screening of MXene with Superior Anchoring Effect in Al-S Batteries, Souvik Manna, Amitabha Das, Sandeep Das and Biswarup Pathak, ACS Materials Letters, 6, 572-582, 2024.
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★. Unraveling CO₂ Reduction Reaction Intermediates on High Entropy Alloy Catalysts: An Interpretable Machine Learning Approach to Establish Scaling Relations, Diptendu Roy, Shyama C. Mandal, Amitabha Das and Biswarup Pathak, Chemistry - A European Journal, 30, 6, e202302679, 2024.

★. Unlocking the Potential of Dual Ion Batteries: Identifying Polycyclic Aromatic Hydrocarbon Cathodes and Intercalating Salt Combinations through Machine Learning, Sandeep Das, Souvik Manna and Biswarup Pathak, ACS Applied Materials & Interfaces, 15, 47, 54520-54529, 2023.

★. Machine Learning Driven Prediction of Band Alignment Types in 2D Hybrid Perovskites, Eti Mahal, Diptendu Roy, Surya S. Manna and Biswarup Pathak, Journal of Materials Chemistry A, 11, 23547-23555, 2023.

★. Deciphering DNA Nucleotide Sequence and their Rotation Dynamics with Interpretable Machine Learning Integrated C₃N Nanopore, Milan K. Jena, Sneha Mittal, Surya S. Manna and Biswarup Pathak, Nanoscale, 11, 21702-21712, 2023.

★. Molecular Dynamics-Machine Learning Approaches for the Accurate Predictions of Electrochemical Windows of Ionic Liquids Electrolytes for Dual-Ion Batteries, Surya S. Manna, Souvik Manna and Biswarup Pathak, Journal of Materials Chemistry A, 11, 21702-21712, 2023.

★. Artificial Intelligence Aided Recognition and Classification of DNA Nucleotides Using MoS₂ Nanochannel, Sneha Mittal, Souvik Manna, Milan K. Jena and Biswarup Pathak, Digital Discovery, 2, 1589-1600, 2023.

★. Metal-Solvent Interaction Contribution on Voltage for Metal Ion Battery: An Interpretable Machine Learning Approach, Souvik Manna, Surya S. Manna, Sandeep Das and Biswarup Pathak, Electrochimica Acta, 467, 143148, 2023.

★. Artificially Intelligent Nanogap for Rapid DNA Sequencing: A Machine Learning Aided Quantum Tunneling Approach, Milan K. Jena, Diptendu Roy, Sneha Mittal and Biswarup Pathak, ACS Materials Letters, 5, 2488-2498, 2023.

★. Protein Sequencing with Artificial Intelligence: Machine Learning Integrated Phosphorene Nanoslit, Sneha Mittal, Milan K. Jena and Biswarup Pathak, Chemistry - A European Journal, 29, 59, e202301667, 2023.

★. Decoding both DNA and Methylated DNA Using a MXene-Based Nanochannel Device: Supervised Machine Learning Assisted Exploration, Sneha Mittal, Souvik Manna, Milan K. Jena and Biswarup Pathak, ACS Materials Letters, 5, 1570-1580, 2023.

★. Development of an Artificially Intelligent Nanopore for High-Throughput DNA Sequencing with a Machine-Learning-Aided Quantum-Tunneling Approach, Milan K. Jena, and Biswarup Pathak, Nano Letters, 2023.
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★. A Route Map of Machine Learning Approaches in Heterogeneous CO₂ Reduction Reaction, Diptendu Roy, Amitabha Das, Souvik Manna and Biswarup Pathak, The Journal of Physical Chemistry C (Perspective | Invited), 2022.

★. Machine Learning Aided Interpretable Approach for Single Nucleotide based DNA Sequencing using a Model Nanopore, Milan K. Jena, Diptendu Roy and Biswarup Pathak, 13, 50, 11818-11830 The Journal of Physical Chemistry Letters, 13, 50, 11818-11830 2022.

★. Machine Learning Prediction of Transmission Function for Protein Sequencing with Graphene Nanoslit, Sneha Mittal, Souvik Manna, and Biswarup Pathak, ACS Applied Materials & Interfaces, 14, 46, 51645-51655, 2022.

★. Capacity prediction of K-ion batteries: A machine learning based approach for high throughput screening of electrode materials, Souvik Manna, Diptendu Roy, Sandeep Das and Biswarup Pathak, Materials Advances, 3, 7833-7845, 2022.

★. Rational Designing of Bimetallic/Trimetallic Hydrogen Evolution Reaction Catalysts using Supervised Machine Learning, Neeraj K. Pandit, Diptendu Roy, Shyama C. Mandal and Biswarup Pathak, The Journal of Physical Chemistry Letters, 13, 7583-7593, 2022.
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★. Machine Learning Assisted Exploration of High Entropy Alloy-Based Catalysts for Selective CO₂ Reduction to Methanol, Diptendu Roy, Shyama C. Mandal and Biswarup Pathak, The Journal of Physical Chemistry Letters, 2022.
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★. Machine Learning Driven High Throughput Screening of Alloy-based Catalysts for Selective CO2 Hydrogenation to Methanol, Diptendu Roy, S. C. Mandal, and Biswarup Pathak, ACS Applied Materials & Interfaces, 13, 47, 56151-56163, 2021.