1. S Ghosh, A Tewari, LLM-Based AI Agents for Automated Extraction of Material Properties and Structural Features, Computational Materials Science (2026).
2. S Rai, A Tewari, A Gupta, A three-dimensional analysis of functionally graded thermoelectric devices considering convective heat losses, International Communications in Heat and Mass Transfer 172 (2026), 110370. https://doi.org/10.1016/j.icheatmasstransfer.2025.110370
3. D Chelot, VL Mishra, V Panwar, A Tewari, P Upadhyaya, Effect of chemical exposure on multi-piece GFRP sandwich pipes for sewage rehabilitation, Polymer Bulletin 83 (2026), 1. https://doi.org/10.1007/s00289-025-06189-1
4. AK Pandey, V Pandey, A Tewari, Machine learning aided bandgap and defect engineering of mixed halide perovskites for photovoltaic applications, Materials Today Physics 60 (2026), 102003. https://doi.org/10.1016/j.mtphys.2025.102003
5. S Rai, K K Sharma, A Tewari, A Gupta, Influence of grain size and spatial volume fraction variation in ZnO based functionally graded thermoelectric devices. Sci Rep 16 (2026), 522. https://doi.org/10.1038/s41598-025-29918-y
6. MR Singh, PD Sabale, KK Sharma, A Tewari, Microstructural Corrosion Stratigraphy of Inland Excavated Iron Artifacts From Kotul, India: Evidence for β‐FeOOH Formation Under Alluvial Burial Conditions, X‐Ray Spectrometry (2025). https://doi.org/10.1002/xrs.70057
7. N Yadav, A Tewari, Interplay between Solute–Grain Boundary and Solute–Solute Interactions in the Segregation of Dopants in Codoped ZnO, Journal of the European Ceramic Society 46 (2026), 117982. https://doi.org/10.1016/j.jeurceramsoc.2025.117982
8. Rai, S., Tewari, A. & Gupta, A. A Novel Mathematical Model for Porosity-Dependent Thermoelectric Properties in Al-Doped ZnO Functionally Graded Devices: Performance Analysis and Optimization. J. Electron. Mater. 54 (2025), 8593–8609. https://doi.org/10.1007/s11664-025-12266-y
9. V Panwar, N Yadav, R Sriharitha, A Tewari, Atomistic modelling and experimental study of dopant segregation induced morphology transition in ZnO nanoparticles, Journal of the American Ceramic Society 108 (2025), e20636. https://doi.org/10.1111/jace.20636  
10. P Bhatt, S Jana, A Tewari, Probing Structural Distortions and Ionic Migration in CH3NH3PbI3: The Role of Intrinsic Defects, The Journal of Physical Chemistry C 129 (2025), 7977-7988. https://doi.org/10.1021/acs.jpcc.5c01844
11. FN Mansoorie, P Bhatt, A Tewari, R Kumar, M Bag, Unveiling the Impact of Bi3+ Heterovalent Doping on the Negative Capacitance and Ionic Conductivity of Perovskite Single Crystals: Implication in Neuromorphic Computing, ACS Applied Materials & Interfaces 17 (2025), 4218-4230. https://doi.org/10.1021/acsami.4c18821
12. R Kumar, A Tewari, A Parashar, An atomistic and experimental approach to study the effect of water and nanofillers on the compressive strength of PEGDA hydrogels for cartilage replacement, Mechanics of Materials 199 (2024) 105161. https://doi.org/10.1016/j.mechmat.2024.105161
13. R Kumar, A Chaurasia, A Tewari*, A Parashar*. Atomistic modelling and experimental study of tensile strength of nanocomposite hydrogel. International Journal of Mechanical Sciences 277 (2024) 109397. https://doi.org/10.1016/j.ijmecsci.2024.109397
14. R Kumar, A Tewari*, A Parashar*. Thermal Transport Phenomena in PEGDA-Based Nanocomposite Hydrogels Using Atomistic and Experimental Techniques. The Journal of Physical Chemistry B 128 (2024), 5254-67. https://doi.org/10.1021/acs.jpcb.4c01376
15. N Yadav, SC Parker, A Tewari*. Genetic algorithm assisted multiscale modeling of grain boundary segregation of Al in ZnO and its correlation with nominal dopant concentration. Journal of the European Ceramic Society 44 (2024) 944-953. https://doi.org/10.1016/j.jeurceramsoc.2023.09.050
16. R Bajpai, A Shukla, J Kumar, A Tewari*. A scalable crystal representation for reverse engineering of novel inorganic materials using deep generative models, Computational Materials Science 230 (2023) 112525. https://doi.org/10.1016/j.commatsci.2023.112525
17. P. Bhatt, A.K. Pandey, A. Rajput, K. Sharma, A. Moyez, A. Tewari*. A review on computational modeling of instability and degradation issues of halide perovskite photovoltaic materials. WIREs Computational Molecular Science e1677 (2023). https://doi.org/10.1002/wcms.1677. (Invited review article)
18. P. Bhatt, A. Kumar, N. Singh, A. Garg, K.S. Nalwa, A. Tewari*. Long-range binding of defect clusters leads to suppressed ion mobility in Cs-doped methylammonium lead iodide. ACS Applied Energy Materials 6 (2023) 6615-6623. https://doi.org/10.1021/acsaem.3c00659.
19. D. Chelot, A. Tewari, K. Shanmugam, P. Upadhyaya. Enhanced strength and toughness of repurposed glass fiber reinforced adhesive joints for sewage applications. The Journal of Adhesion 100 (2023) 556-575. https://doi.org/10.1080/00218464.2023.2234292.
20. N. Yadav, N. Chakraborty, A. Tewari*. Interval prediction machine learning models for predicting experimental thermal conductivity of high entropy alloys. Computational Materials Science 214 (2022) 111754. https://doi.org/10.1016/j.commatsci.2022.111754.
21. A Sankar Deepa, A. Tewari*. Phase transition behaviour of hydrated Glauber’s salt based phase change materials and the effect of ionic salt additives: A molecular dynamics study. Computational Materials Science 203 (2022) 111112. https://doi.org/10.1016/j.commatsci.2021.111112.
22. Tewari*, S. Dixit, N. Sahni, S.P.A. Bordas, “Machine learning approaches to identify and design low thermal conductivity oxides for thermoelectric applications”, Data-Centric Engineering 1 (2020) e8. https://doi.org/10.1017/dce.2020.7.
23. Tewari, P. Bowen, Grain boundary complexion and transparent polycrystalline alumina from an atomistic simulation perspective, Current Opinion in Solid State and Materials Science 20 (2016) 278–285. https://doi.org/10.1016/j.cossms.2016.06.004.
24. M. Michálek, A. Tewari, G. Blugan, P. Bowen, H. Hofmann, T. Graule, J. Kuebler, New approach to low thermal conductivity of thermal barrier protection with improved mechanical integrity, Ceramics International 42 (2016) 6817–6824. https://doi.org/10.1016/j.ceramint.2016.01.059.
25. A Tewari, F. Nabiei, M. Cantoni, C. Hebert, P. Bowen, S.C. Parker, M. Stuer, Toward Knowledge-Based Grain-Boundary Engineering of Transparent Alumina Combining Advanced TEM and Atomistic Modeling, Journal of the American Ceramic Society 98 (2015) 1959–1964. https://doi.org/10.1111/jace.13552.
26. Tewari, F. Nabiei, M. Cantoni, P. Bowen, C. Hébert, Segregation of anion (Cl−) impurities at transparent polycrystalline α-alumina interfaces, Journal of the European Ceramic Society 34 (2014) 3037–3045. https://doi.org/10.1016/j.jeurceramsoc.2014.04.018.
27. Tewari, U. Aschauer, P. Bowen, Atomistic Modeling of Effect of Mg on Oxygen Vacancy Diffusion in α-Alumina Journal of American Ceramic Society 97 (2014) 2596–2601. https://doi.org/10.1111/jace.13008.
28. Tewari, S. Galmarini, M. Stuer, P. Bowen, Atomistic modeling of the effect of codoping on the atomistic structure of interfaces in α-alumina, Journal of the European Ceramic Society 32 (2012) 2935–2948. https://doi.org/10.1016/j.jeurceramsoc.2012.02.056.
29. Tewari, Load dependence of oxidative wear in metal/ceramic tribocouples in fretting environment, Wear 289 (2012) 95–103. https://doi.org/10.1016/j.wear.2012.04.010.
30. F. Bondioli, V. Cannillo, A.M. Ferrari, A. Tewari, Synthesis and Thermal Stability of Hydroxyapatite-Coated Zirconia Nanocomposite Powders, Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry 42 (2012) 128–134. https://doi.org/10.1080/15533174.2011.609502.
31. S. Galmarini, U. Aschauer, A. Tewari, Y. Aman, C. Van Gestel, P. Bowen, Atomistic modeling of dopant segregation in α-alumina ceramics: Coverage dependent energy of segregation and nominal dopant solubility, Journal of the European Ceramic Society 31 (2011) 2839–2852. https://doi.org/10.1016/j.jeurceramsoc.2011.07.010.
32. A Tewari, B. Basu, R.K. Bordia, Model for fretting wear of brittle ceramics, Acta Materialia 57 (2009) 2080–2087. https://doi.org/10.1016/j.actamat.2009.01.013.
33. A.K. Dubey, S. Dutta-Gupta, R. Kumar, A. Tewari, B. Basu, Time constant determination for electrical equivalent of biological cells, Journal of Applied Physics 105 (2009) 084705. https://doi.org/10.1063/1.3086627.      

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