Research Interest

• Computational Materials Modelling
• AI/ML for Material Design
• Density Functional Theory
• Quantum Transport (DFT-NEGF)
• Bioelectronics
• DNA Sequencing
• Functional Energy Materials

  Professional Experience

• Dec. 2025–Onwards: Assistant Professor, Indian Institute of Technology Bhilai, India
• Jan. 2025–Dec. 2025: Postdoctoral Fellow, University of Warwick, UK
• Oct. 2024–Jan. 2025: Research Associate, Indian Institute of Technology Indore, India

  Education

• Ph.D.: Indian Institute of Technology Indore, India
• M.Sc. (Chemistry): Indian Institute of Technology Guwahati, India
• B.Sc. (Chemistry): Ravenshaw University, Cuttack, India

  Teaching

• MML 253: Computational Materials Science and Engineering (UG)
• MML 554: Computational Methods in Materials Science (PG)

  Selected Publications

• Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak, Machine Learning Recognition of Artificial DNA Sequence with Quantum Tunnelling Nanogap Junction. J. Phys. Chem. B 2025, 129 (3), 853–865.
• Milan Kumar Jena, Sneha Mittal, and Biswarup Pathak, Precision Basecalling of Single DNA Nucleotide from Overlapped Transmission Readouts with Machine Learning Aided Solid-State Nanogap. ACS Appl. Mater. Interfaces 2024, 16 (23), 29891–29901.
• Milan Kumar Jena and Biswarup Pathak, Development of an Artificially Intelligent Nanopore for High-Throughput DNA Sequencing with a Machine-Learning aided Quantum Tunnelling Approach. Nano Lett. 2023, 23 (7), 2511–2521. Selected as Front Cover Art.
• Milan Kumar Jena, Diptendu Roy, Sneha Mittal, and Biswarup Pathak, Artificially Intelligent Nanogap for Rapid DNA Sequencing: A Machine Learning Aided Quantum Tunneling Approach. ACS Mater. Lett. 2023, 5 (9), 2488–2498.
• Milan Kumar Jena, Diptendu Roy, and Biswarup Pathak, Machine Learning Aided Interpretable Approach for Single Nucleotide based DNA Sequencing using a Model Nanopore. J. Phys. Chem. Lett. 2022, 13 (50), 11818–11830. Selected as Front Cover Art.
• Milan Kumar Jena, Sneha Mittal, Surya Sekhar Manna, and Biswarup Pathak, Deciphering DNA Nucleotide Sequences and Their Rotation Dynamics with Interpretable Machine Learning Integrated C3N Nanopores. Nanoscale 2023, 15 (44), 18080–18092.
• Milan Kumar Jena and Biswarup Pathak, Identification of DNA Nucleotides by Conductance and Tunnelling Current Variation Through Borophene Nanogaps. Phys. Chem. Chem. Phys. 2022, 24 (35), 21427–21439.
• Milan Kumar Jena, Rameshwar L Kumawat, and Biswarup Pathak, First-Principles Density Functional Theory Study on Graphene and Borophene Nanopores for Individual Identification of DNA Nucleotides. ACS Appl. Nano Mater. 2021, 4 (12), 13573–13586.
• S. Biswas, A. Pal, Milan Kumar Jena, S. Hossain, J. Sakai, S. Das, B. Sahoo, Biswarup Pathak, and Y. Negishi, Luminescent hydride-free [Cu7(SC5H9)7(PPh3)3] nanocluster: Facilitating highly selective C-C bond formation. J. Am. Chem. Soc. 2024, 146 (30), 20937–20944.
• Harpriya Minhaj, Milan Kumar Jena, Rahul Sharma, and Biswarup Pathak, Insights into Thermal Conductivity of Pnictogen Chalcogenides: Machine Learning Stereochemically Active Lone Pairs and Hybridization. Chem. Mater. 2025, 37 (1), 198–209.
• Nishchal Bharadwaj, Surya Sekhar Manna, Milan Kumar Jena, Diptendu Roy, and Biswarup Pathak, Unlocking efficiency of nonaqueous Li-Air batteries through synergistic effect of dual metal site catalysts: An interpretable machine learning approach. J. Mater. Chem. A 2024, 12, 15115-15126. Selected as Part of ‘Journal of Materials Chemistry A HOT Papers Special Collection’
• Abinash Pradhan, Milan Kumar Jena, and Saroj L Samal, Understanding of the band gap transition in Cs3Sb2Cl9–XBrx: Anion site preference-induced structural distortion. ACS Appl. Energy Mater. 2022, 5 (6), 6952–6961.
• Rahul Sharma, Milan Kumar Jena, Harpriya Minhaj, and Biswarup Pathak, Machine-Learning-Assisted Screening of Nanocluster Electrocatalysts: Mapping and Reshaping the Activity Volcano for the Oxygen Reduction Reaction. Rahul Sharma. ACS Appl. Mater. Interfaces 2024, 16 (46), 63589–63601.

  Awards and Honors

• Young Theoretical Chemist Association (YTCA) scholarship 2023, The 5th conference of Theory and Applications of Computational Chemistry (TACC) International Conference, Hokkaido University, Sapporo, Japan
• Institute Excellence in Research Award 2023 on Institute Foundation Day, IIT Indore, India
• Best Research Paper Award at In-house Symposium: CHEM 2023, Department of Chemistry, IIT Indore, India
• Best Poster Presentation Award in Evolution of Electronic Structure Theory and Experimental Realization (EESTER) Conference 2023 at IIT Madras-SRM Chennai, India
• International Travel Support (ITS) grant award 2023, DST-SERB, India
• Merit-Cum-Means Scholarship, IIT Guwahati, India
• AIR 15 and 26 in CSIR-NET, Govt. of India
• Secured AIR 141 in IIT-JAM entrance exam for M.Sc., Govt. of India
• Received DST INSPIRE Scholarship, Govt. of India
• Awarded Indian Oil Junior Merit Scholarship by IOCL