Publications

Decoding d- and l-Amino Acids: Data-Driven Recognition of Enantiomers and Post-Translational Modifications via Quantum Tunneling

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

The Journal of Physical Chemistry Letters 2026

Machine Learning Recognition of Artificial DNA Sequence with Quantum Tunneling Nanogap Junction

Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak 

The Journal of Physical Chemistry B 2025, 129 (3), 853–865 

Unsupervised Clustering of DNA Transmission Footprints Using MoS2/WSe2 Heterojunction 

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

ACS Applied Materials & Interfaces 2025, 17 (35), 49252–49260

Quantum Transport Informed Machine Learning Mapping of Current–Voltage Characteristics for Precision Deoxyribonucleic Acid Sequencing

Mohd Rashid, Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak 

The Journal of Physical Chemistry A 2025, 129 (39), 9084–9094 

Selected as Front Cover Page Article

Machine Learning Boosted Quantum-Profiling of Blood Antigens 

Dyuti Chatterjee, Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

The Journal of Physical Chemistry Letters 2025, 16 (31), 7824–7833 

Decoding Regioselectivity of Disaccharides Using Quantum Transport and Artificial Intelligence

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

ACS Applied Engineering Materials 2025, 3 (8), 2441–2454

Machine Learning-Driven Quantum Sequencing of Natural and Chemically Modified DNA 

Dipti Maurya, Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

ACS Applied Materials & Interfaces 2025, 17 (14), 20778–20789 

Unlocking the 12-Letter Genetic Code: ML-Empowered Quantum Nanopore Base-Calling Even for DNA Isomers

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

ACS Applied Nano Materials 2025, 8 (23), 12065–12078

Deciphering Electrocatalytic Activity in Cu Nanoclusters: Interplay Between Structural Confinement and Ligands Environment 

Sourav Biswas, Yamato Shingyouchi, Maho Kamiyama, Milan Kumar Jena, Masaki Ogami, Tokuhisa Kawawaki, Biswarup Pathak, Yuichi Negishi 

Small 2025, 202500302

Selected as Front Cover Page Article

A hybrid supervised and unsupervised machine learning approach for identifying nucleoside drugs using nanopore readouts

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

Nanoscale 2025, 17, 17689-17702 

Insights into Thermal Conductivity of Pnictogen Chalcogenides: Machine Learning Stereochemically Active Lone Pairs and Hybridization 

Harpriya Minhas, Milan Kumar Jena, Rahul Kumar Sharma, Biswarup Pathak 

Chemistry of Materials 2025, 37 (1), 198–209 

Machine-learning-assisted screening of nanocluster electrocatalysts: mapping and reshaping the activity volcano for the oxygen reduction reaction

Rahul Kumar Sharma, Harpriya Minhas, Milan Kumar Jena, Biswarup Pathak  

ACS Applied Materials & Interfaces 2025, 16 (46), 63589–63601

Automated-Screening Oriented Electric Sensing of Vitamin B1 Using a Machine Learning Aided Solid-State Nanopore 

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

The Journal of Physical Chemistry B 2025, 129 (4), 1301–1310

Selected as Front Cover Page Article

Advancement of Next‐Generation DNA Sequencing through Ionic Blockade and Transverse Tunneling Current Methods  

Rameshwar L. Kumawat, Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak 

Small 2024, 202401112

Integration of Artificial Intelligence and Quantum Transport toward Stereoselective Identification of Carbohydrate Isomers 

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

ACS Central Science 2024, 10 (9), 1689–1702 

Selected as Front Cover Page Article

Machine learning-driven inverse design and role of dopant for tuning thermoelectric efficiency 

Harpriya Minhas, Milan Kumar Jena, Rahul Kumar Sharma, Biswarup Pathak

ACS Applied Electronic Materials 2024, 6 (8), 5815–5826  

Machine Learning Prediction and Classification of Transmission Functions for Rapid DNA Sequencing in a Hybrid Nanopore 

Souptik Pandit, Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak 

ACS Applied Nano Materials 2024, 7 (14), 17120–17132 

Luminescent Hydride-Free [Cu7(SC5H9)7(PPh3)3] Nanocluster: Facilitating Highly Selective C–C Bond Formation 

Sourav Biswas, Amit Pal, Milan Kumar Jena, Sakiat Hossain, Jin Sakai, Saikat Das, Basudev Sahoo, Biswarup Pathak, Yuichi Negishi 

Journal of the American Chemical Society 2024, 146 (30), 20937–20944  

Machine Learning-Assisted Direct RNA Sequencing with Epigenetic RNA Modification Detection via Quantum Tunneling

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

Analytical Chemistry 2024, 96(28), 11516–11524

Selected as Front Cover Page Article

Precision Basecalling of Single DNA Nucleotide from Overlapped Transmission Readouts with Machine Learning Aided Solid-State Nanogap 

Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak 

ACS Applied Materials & Interfaces 2024, 16 (23), 29891–29901 

Effect of graphene electrode functionalization on machine learning-aided single nucleotide classification 

Mohd Rashid, Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak 

Nanoscale 2024, 16, 20202-20215

Machine learning empowered next-generation DNA sequencing: perspective and prospectus 

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

Chemical Science 2024, 15, 12169-12188 

Unlocking the efficiency of nonaqueous Li–air batteries through the synergistic effect of dual metal site catalysts: an interpretable machine learning approach

Nishchal Bharadwaj, Surya Sekhar Manna, Milan Kumar Jena, and Biswarup Pathak 

Journal of Materials Chemistry A 2024,12, 15115-15126 

Selected as Part of ‘Journal of Materials Chemistry A HOT Papers Special Collection’ 

Photoluminescence Properties of a Chiral One-Dimensional Silver Chalcogenolate Chain

Priyanka Chandrashekar, Milan Kumar Jena, Gokul Krishnan, Biswarup Pathak, Sukhendu Mandal

Inorganic Chemistry 2023, 62 (49), 20288–20295

Protein Sequencing with Artificial Intelligence: Machine Learning Integrated Phosphorene Nanoslit 

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

Chemistry– A European Journal 2023, 29 (59), e202301667  

Artificially intelligent nanogap for rapid DNA sequencing: A machine learning aided quantum tunneling approach

Milan Kumar Jena, Diptendu Roy, Sneha Mittal, and Biswarup Pathak 

ACS Materials Letters 2023, 5 (9), 2488–2498  

Decoding both DNA and methylated DNA using a MXene-based nanochannel device: supervised machine-learning-assisted exploration

Sneha Mittal, Souvik Manna, Milan Kumar Jena, and Biswarup Pathak 

ACS Materials Letters 2023, 5 (6), 1570–1580  

Development of an artificially intelligent nanopore for high-throughput DNA sequencing with a machine-learning-aided quantum-tunneling approach

Milan Kumar Jena and Biswarup Pathak 

Nano Letters 2023, 23 (7), 2511–2521

Selected as Front Cover Page Article

Deciphering DNA nucleotide sequences and their rotation dynamics with interpretable machine learning integrated C3N nanopores

Milan Kumar Jena, Sneha Mittal, Surya Sekhar Manna, and Biswarup Pathak 

Nanoscale 2023,15, 18080-18092 

Artificial intelligence aided recognition and classification of DNA nucleotides using MoS2 nanochannels 

Sneha Mittal, Souvik Manna, Milan Kumar Jena, and Biswarup Pathak 

Digital Discovery 2023, 2 (5), 1589-1600

Machine learning aided interpretable approach for single nucleotide-based DNA sequencing using a model nanopore 

Milan Kumar Jena, Diptendu Roy, and Biswarup Pathak 

The Journal of Physical Chemistry Letters 2022, 13 (50), 11818–11830

Selected as Front Cover Page Article

Amplifying Quantum Tunneling Current Sensitivity through Labeling Nucleotides Using Graphene Nanogap Electrodes

Sneha Mittal, Milan Kumar Jena, and Biswarup Pathak 

ACS Applied Nano Materials 2022, 5 (7), 9356–9366  

Understanding of the Band Gap Transition in Cs3Sb2Cl9–xBrx: Anion Site Preference-Induced Structural Distortion 

Abinash Pradhan, Milan Kumar Jena, Saroj L Samal 

ACS Applied Energy Materials 2022, 5 (6), 6952–6961   

Graphene nanoslit device for protein sequencing: Ab initio quantum transport study 

Sneha Mittal, Rameshwar L Kumawat, Milan Kumar Jena, and Biswarup Pathak 

ACS Applied Nano Materials 2022, 5 (2), 2715–2727 

Identification of DNA nucleotides by conductance and tunnelling current variation through borophene nanogaps

Milan Kumar Jena and Biswarup Pathak 

Physical Chemistry Chemical Physics 2022, 24 (35), 21427–21439  

First-principles density functional theory study on graphene and borophene nanopores for individual identification of DNA nucleotides 

Milan Kumar Jena, Rameshwar L Kumawat, and Biswarup Pathak 

ACS Applied Nano Materials 2021, 4 (12), 13573–13586

Individual identification of amino acids on an atomically thin hydrogen boride system using electronic transport calculations 

Rameshwar L Kumawat, Milan Kumar Jena, Biswarup Pathak  

The Journal of Physical Chemistry C 2020, 124 (49), 27194–27202