Publications.

 Google Scholar profile (citations: >1500, h-index: 22, i-10 index: 39) 
Patents:
  1. Narayanan, B., Sankaranarayanan, S., Sumant, A.V., Cherukara, M.J. and Berman, D., UChicago Argonne LLC, 2022. Systems and methods for designing new materials for superlubricity. U.S. Patent 11,232,241.
  2. Sankaranarayanan, S., Loeffler, T.D., Chan, H., Cherukara, M.J. and Srinivasan, S., UChicago Argonne LLC, 2021. Systems and methods for generating phase diagrams for metastable material states. U.S. Patent Application 16/807,081.
  3. Chan, H., Cherukara, M.J., Narayanan, B., Sankaranarayanan, S., Gray, S.K. and Loeffler, T.D., UChicago Argonne LLC, 2021. Systems and methods for hierarchical multi-objective optimization. U.S. Patent Application 16/704,936.
  4. Sankaranarayanan, S., Cherukara, M.J., Narayanan, B. and Chan, H., UChicago Argonne LLC, 2020. Machine learning technique to identify grains in polycrystalline materials samples. U.S. Patent 10,839,195.


Invited papers:
  1. Wen, H., Cherukara, M. J., & Holt, M. V.  Time-resolved x-ray microscopy for materials science. Annual Review of Materials Research, 49 (2019). Impact Factor: 16.8
  2. Chan, H., Narayanan, B., Cherukara, M.J., Sen, F.G., Sasikumar, K., Gray, S.K., Chan, M., and Sankaranarayanan, S.K.R.S., Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data, The Journal of Physical Chemistry C 123, no. 12 : 6941-6957 (2019) I.F: 4.5


​First and/or corresponding author: (* indicates joint first-author)
  1. Cherukara, M.J., Mannodi-Kannakithodi, A., 2022, Deep learning the properties of inorganic perovskites, Modeling and Simulation in Materials Science and Engineering. ​Impact Factor: 2.3
  2. Koneru, A., Batra, R., Manna, S., Loeffler, T.D., Chan, H., Sternberg, M., Avarca, A., Singh, H., Cherukara, M.J. and Sankaranarayanan, S.K., 2022. Multi-reward Reinforcement Learning Based Bond-Order Potential to Study Strain-Assisted Phase Transitions in Phosphorene. The Journal of Physical Chemistry Letters, 13, pp.1886-1893. I.F.: 6.5
  3. Chan, H., Nashed, Y.S., Kandel, S., Hruszkewycz, S.O., Sankaranarayanan, S.K., Harder, R.J. and Cherukara, M.J., 2021. Rapid 3D nanoscale coherent imaging via physics-aware deep learning. Applied Physics Reviews, 8(2), p.021407. I. F.: 19.2
    1. ​Editor’s feature article and highlighted by AIP: https://aip.scitation.org/doi/10.1063/10.0005083
  4. ​Cherukara, M. J., Zhou, T., Nashed, Y., Enfedaque, P., Hexemer, A., Harder, R. J., & Holt, M. V. (2020). AI-enabled high-resolution scanning coherent diffraction imaging. Applied Physics Letters, 117(4), 044103. Impact factor: 3.6
  5. Chan, H.,* Cherukara, M.J.,* Narayanan, B.,* Loeffler, T., Benmore, C., Gray, S., Sankaranarayanan, S., Machine learning coarse grained models for water, Nature Communications, 10, 379 (2019) I. F.: 14.9
  6. Cherukara, M.J., Nashed, Y., Harder, R.J., Real-time coherent diffraction inversion using deep generative networks, Scientific Reports, 8, 16520 (2018) I. F.: 4.1
  7. Cherukara, M.J., Cha, W., Harder, R.J., Anisotropic nano-scale resolution in 3D Bragg coherent diffraction imaging, Applied Physics Letters, 113, 203101 (2018) I. F.: 3.5
  8. Cherukara, M.J., Pokharel, R., O'Leary, T.S., Kevin Baldwin, J., Maxey, E., Cha, W., Maser, J., Harder, R.J., Fensin, S.J., Sandberg, R.L., Three-dimensional X-ray diffraction imaging of dislocations in polycrystalline metals under tensile loading, Nature Communications, 9 (1), 3776, (2018)  I. F.: 14.9
  9. Cherukara, M.J.,* Schulmann, D.,* Sasikumar, K.,* Arnold, A.J., Chan, H., Sadasivam, S.,Cha, W.,Maser, J.,Das, S.,Sankaranarayanan, S.K.R.S and Harder, R.J., Three-dimensional Integrated X-ray diffraction imaging of native strain in multi-layered WSe2 Nano Lett., DOI: 10.1021/acs.nanolett.7b05441 (2018) I. F.: 12.7
  10. Cherukara, M.J.,* Sasikumar, K.,* DiChiara A., Leake S.J., Cha, W., Dufresne, E.M., Peterka, T., McNulty I., Walko, D., Wen, H., Sankaranarayanan, S.K.R.S., Harder, R.J, Ultrafast Three-Dimensional Integrated Imaging of Strain in Core/Shell Semiconductor/Metal Nanostructures, Nano Letters, 17 (12), pp 7696–7701 (2017) I. F.: 12.7
  11. Fang, Y.,* Jiang, Y.,* Cherukara, M.J.,* Shi, F., Koehler, K., Freyermuth, G., Isheim, D., Narayanan, B., Nicholls, A.W., Seidman, D.N., Sankaranarayanan, S.K.R.S., Tian, B., Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies, Nature Communications, 8, 2014 (2017) I. F.: 14.9
  12. Cherukara, M.J.,* Narayanan, B.,*Chan, H., Sankaranarayanan, S.K.R.S., Silicene growth through island migration and coalescence, Nanoscale, 9, 10186-10192 (2017) I. F.: 7.4
  13. Cherukara, M.J.,* Sasikumar, K.,* Cha, W., Narayanan, B., Leake S.J., Dufresne, E.M., Peterka, T., McNulty I., Wen, H., Sankaranarayanan, S.K.R.S., Harder, R.J, Ultra-fast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals, Nano Letters,17, pp 1102–1108 (2017) I. F.: 12.7 
  14. Cherukara, M.J.,* Narayanan, B.,* Kinaci, A., Sasikumar, K., Gray, S.K., Chan, M.K.Y, Sankaranarayanan, S.K.R.S., Ab-initio Based Bond Order Potential To Investigate Low Thermal Conductivity Of Stanene Nanostructures, The Journal of Physical Chemistry Letters,7,pp 3752-3759 (2016) I. F.: 9.3 
  15. Cherukara, M.J., Germann, T.C., Kober, E.M., Strachan, A., Shock loading of granular Ni/Al composites. Part 2: shock-induced chemistry, The Journal of Physical Chemistry C, 120, 12, pp 6804–6813 (2016) I. F.: 4.5
  16. Wood, M.A.,* Cherukara, M.J.,* Kober, E.M., Strachan, A.,Ultra-fast chemistry under non-equilibrium conditions and the shock to deflagration transition at the nanoscale, The Journal of Physical Chemistry C, 119,38, pp 22008–22015 (2015) I. F.: 4.5
  17. Cherukara, M.J., Weihs T.P., Strachan A., Molecular dynamics simulations of the reaction mechanism in Ni/Al intermetallics, Acta Materialia, 96, 1-9 (2015) I. F.: 5.0
  18. Cherukara, M.J., Germann, T.C., Kober, E.M., Strachan, A., Shock loading of granular Ni/Al composites. Part 1: mechanics of loading, The Journal of Physical Chemistry C, 118, 45, pp 26377–26386 (2014) I. F.: 4.5
  19. Cherukara, M.J., Vishnu, K., Strachan, A., Role of nanostructure on reaction and transport in Ni/Al intermolecular reactive composites, Physical Review B, 86, 075470. (2012) I. F.: 3.7


Co-authored:
  1. Manna, S., Loeffler, T.D., Batra, R., Banik, S., Chan, H., Varughese, B., Sasikumar, K., Sternberg, M., Peterka, T., Cherukara, M.J., Gray, S.K., Sumpter, B.G., Sankaranarayanan, S., 2022. Learning in continuous action space for developing high dimensional potential energy models. Nature Communications, 13(1), pp.1-10. Impact Factor: 14.9
  2. Kim, J. W., Cherukara, M. J., Tripathi, A., Jiang, Z., & Wang, J. (2021). Inversion of coherent surface scattering images via deep learning network. Applied Physics Letters, 119(19), 191601. I. F.: 3.6
  3. Zaluzhnyy, I.A., Sprau, P.O., Tran, R., Wang, Q., Zhang, H.T., Zhang, Z., Park, T.J., Hua, N., Stoychev, B., Cherukara, M.J. and Holt, M.V., 2021. Proton distribution visualization in perovskite nickelate devices utilizing nanofocused x rays. Physical Review Materials, 5(9), p.095003. I.F: 4.0
  4. Zhou, T., Cherukara, M. and Phatak, C., 2021. Differential programming enabled functional imaging with Lorentz transmission electron microscopy. npj Computational Materials, 7(1), pp.1-8. I.F: 13.2
  5. Luo, Y., Zaluzec, N., Cherukara, M., Wu, X. and Chen, S., 2021. Real-Time Image Registration via A Deep Leaning Approach for Correlative X-ray and Electron Microscopy. Microscopy and Microanalysis, 27(S1), pp.302-304. I.F: 3.4
  6. Banik, S., Loeffler, T.D., Batra, R., Singh, H., Cherukara, M. and Sankaranarayanan, S.K., 2021. Learning with Delayed Rewards--A case study on inverse defect design in 2D materials. ACS Appl. Mater. Interfaces 13, 30, 36455-36464. I.F: 9.2
  7. Srinivasan, S., Batra, R., Chan, H., Kamath, G., Cherukara, M.J. and Sankaranarayanan, S.K., 2021. Artificial Intelligence-Guided De Novo Molecular Design Targeting COVID-19. ACS omega, 6(19), pp.12557-12566. I.F: 3.5
  8. Chan, H., Narayanan, B., Cherukara, M., Loeffler, T.D., Sternberg, M.G., Avarca, A. and Sankaranarayanan, S.K., 2021. BLAST: bridging length/timescales via atomistic simulation toolkit. MRS Advances, 6(2), pp.21-31. I.F: 0.8
  9. Shabalin, A. G., Del Valle, J., Hua, N., Cherukara, M. J., Holt, M. V., Schuller, I. K., & Shpyrko, O. G. (2020). Nanoscale Imaging and Control of Volatile and Non‐Volatile Resistive Switching in VO2. Small, 16(50), 2005439. I.F 13.3
  10. Batra, R., Chan, H., Kamath, G., Ramprasad, R., Cherukara, M. J., & Sankaranarayanan, S. K. (2020). Screening of Therapeutic Agents for COVID-19 Using Machine Learning and Ensemble Docking Studies. The Journal of Physical Chemistry Letters. I. F.: 7.3
  11. Zhang, H. T., Park, T. J., Zaluzhnyy, I. A., Wang, Q., Wadekar, S. N., Manna, S., ... & Huang, C. (2020). Perovskite neural trees. Nature communications, 11(1), 1-9. I. F.: 12.1
  12. Diao, J., Cherukara, M., Harder, R., Huang, X., Zhang, F., Chen, B., ... & Robinson, I. (2020). Unusual breathing behavior of optically excited Barium Titanate nanocrystals. Crystals, 10(5), 365. I. F.: 2.1
  13. Loeffler, T. D., Patra, T. K., Chan, H., Cherukara, M. J., & Sankaranarayanan, S. K. Active Learning the Potential Energy Landscape for Water Clusters from Sparse Training Data. DOI: 10.1021/acs.jpcc.0c00047 The Journal of Physical Chemistry C. (2020) I. F.: 4.5
  14. Chan, H., Cherukara, M., Loeffler, T. D., Narayanan, B., & Sankaranarayanan, S. K. Machine learning enabled autonomous microstructural characterization in 3D samples. npj Computational Materials, 6(1), 1-9. (2020) I. F.: 13.2
  15. Bakaul, S.R., Kim, J., Hong, S., Cherukara, M.J., Zhou, T., Stan, L., Serrao, C.R., Salahuddin, S., Petford‐Long, A.K., Fong, D.D. and Holt, M.V., 2020. Ferroelectric Domain Wall Motion in Freestanding Single‐Crystal Complex Oxide Thin Film. Advanced Materials, 32(4), p.1907036. (2020) I. F.: 25.8
  16. Patra, T.K., Loeffler, T.D., Chan, H.,Cherukara, M.J., Narayanan, B. and Sankaranarayanan, S.K., A coarse-grained deep neural network model for liquid water. Applied Physics Letters, 115(19), p.193101. (2019) I. F.: 3.5
  17. Chan, H., Sasikumar, K., Srinivasan, S., Cherukara, M., Narayanan, B., Sankaranarayanan, S. K., Machine learning a bond order potential model to study thermal transport in WSe 2 nanostructures, Nanoscale (2019) I.F.: 7.4
  18. Loeffler, T. D., Chan, H., Sasikumar, K., Narayanan, B., Cherukara, M. J., Gray, S. K., & Sankaranarayanan, S. K. (2019). Teaching an Old Dog New Tricks: Machine Learning an Improved TIP3P Potential Model for Liquid-Vapor Phase Phenomena. The Journal of Physical Chemistry C. I. F.: 4.5 
  19. Kim, D., Chung, M., Carnis, J., Kim, S, Yun, K., Kang, J., Cherukara, M.J., Maxey, E., Harder, R., Sasikumar, K., Sankaranarayanan, S., Zozulya, A., Sprung, M., Riu, D., Kim, H., Active site localization of methane oxidation on Pt nanocrystals, Nature Communications,9, 3422 (2018) I.F.: 14.9
  20. Sun, Y., Kotiuga, M., Lim, D., Narayanan, B., Cherukara, M., Zhang, Z., Dong, Y., Kou, R., Cheng-Jun, S., Lu, Q., Waluyo, I., Hunt, A., Tanaka, H., Hattori, A., Gamage, S., Abate, Y., Pol, V., Zhou, H., Sankaranarayanan, S., Yildiz, B., Rabe, K., Ramanathan, S., Strongly Correlated Perovskite Lithium Ion Shuttles, PNAS, https://doi.org/10.1073/pnas.1805029115 (2018)  I.F.: 9.7
  21. Patra, T.K., Zhang, F., Schulman, D.S., Chan, H., Cherukara, M.J., Terrones, M., Das, S., Narayanan, B., Sankaranarayanan, S.K.R.S., Defect Dynamics in 2-D MoS2 Probed by Using Machine Learning, Atomistic Simulations, and High-Resolution Microscopy, ACS Nano, 12,8, 8006-8016 (2018)  I.F.: 13.7
  22. Loeffler, T.D., Chan, H., Narayanan, B., Cherukara, M.J., Gray, S., Sankaranarayanan, S.K.R.S., Configurational-Bias Monte Carlo Back-Mapping Algorithm for Efficient and Rapid Conversion of Coarse-Grained Water Structures into Atomistic Models, J. Phys. Chem B, 122 (28), pp 7102-7110 (2018) I.F.: 3.1
  23. Liu, H., Dong, Y., Cherukara, M.J., Sasikumar, K., Narayanan, B., Cai, Z., Lai, B., Stan, L., Hong, S., Chan, M.K.Y., Sankaranarayanan, S.K.R.S., Zhou, H., Fong, D.D., Quantitative Observation of Threshold Defect Behavior in Memristive Devices with Operando X-ray Microscopy, ACS Nano, 12 (5), pp 4938-4945 (2018)  I.F.: 13.7
  24. Berman, D., Narayanan, B., Cherukara, M.J., Sankaranarayanan, S.K.R.S., Erdemir, A., Zinovev, A., Sumant, A.V., Operando Tribochemical Formation of Onion-Like-Carbon Leads to Macroscale Superlubricity, Nature Communications, 9.1 (2018) I.F.: 14.9
  25. Zhang Z., Schwanz D., Narayanan, B., Kotiuga, M., Dura, J. A., Cherukara, M.J., Zhou, H., Freeland J.W., Li, J., Sutarto, R., He, F., Chongzhao, W., Zhu, J., Sun, Y., Ramadoss, K., Nonnenmann, S.S., Nanfang Y., Comin, R., Rabe, K.M, Sankaranarayanan, S.K.R.S., Ramanathan, S., Perovskite nickelates as electric-field sensors in salt water, Nature, doi:10.1038/nature25008 (2017) I.F.: 40.1
  26. Ulvestad, A., Cherukara, M.J., Harder, R., Cha, W., Robinson, I.K., Soog, S., Nelson, S., Zhu, D., Stephenson, G.B., Heinonen, O. and Jokisaari, A., Bragg Coherent Diffractive Imaging of Zinc Oxide Acoustic Phonons at Picosecond Timescales. Scientific Reports, 7:9823 (2017) I.F.: 4.2
  27. Zuo, F., Panda, P., Kotiuga, M., Jiarui, L., Kang, M. G., Mazzoli, C., Zhou, H., Barbour, A., Wilkins S., Narayanan, B., Cherukara, M.J., Zhang Z., Sankaranarayanan, S.K.R.S., Comin, R., Rabe, K.M., Roy, K., Ramanathan, S., Habituation based synaptic plasticity and organismic learning in a quantum perovskite, Nature Communications, 8:240 (2017) I. F.: 14.9
  28. Sasikumar, K.,* Narayanan, B.,* Cherukara, M.J., Kinaci, A., Sen, F.G., Gray, S.K., Chan, M.K.Y, Sankaranarayanan, S.K.R.S., Evolutionary Optimization of a Charge Transfer Ionic Potential Model for Ta/Ta- Oxide Heter-interfaces. Chemistry of Materials, 29 (8), pp 3603-3614 (2017). I. F.: 9.4
  29. Manukyan K.V., Shuck, C.E., Cherukara, M.J., Rouvimov, S., Kovalev, D.Y., Strachan, A., Mukasyan, A.S., Exothermic self-sustained waves with amorphous nickel, The Journal of Physical Chemistry C, 120, 10, pp 5827-5838. (2016) I. F.: 4.5
  30. Morrison, K., Cherukara, M.J., Kim, H., Strachan, A., Role of grain size on the martensitic transformation and ultra-fast superelasticity in shape memory alloys, Acta Materialia, 95, 37-43. (2015) I. F.: 5.0
  31. Morrison, K., Cherukara, M.J., Vishnu, K., Strachan, A., Role of atomic variability and mechanical constraints on the martensitic phase transformation of a model disordered shape memory alloy via molecular dynamics, Acta Materialia 69,30-36. (2014) I. F.: 5.0
  32. Vishnu, K., Cherukara, M.J., Kim, H., Strachan, A., Amorphous Ni/Al nanoscale laminates as high energy intermolecular reactive composites, Physical Review B, 85, 184206. (2012) I. F.: 3.7
  33. Manukyan, K.V., Mason, B.A., Groven, L.J., Lin, Y., Cherukara, M.J., Son, S.F., Strachan,A., Mukasyan, A.S., Tailored reactivity of Ni+Al nanocomposites: microstructural correlations, The Journal of Physical Chemistry C, 116, 21027-21038. (2012) I. F.: 4.5
  34. Lin, K., Sullivan, S., Cherukara, M.J, Strachan, A., nanoMATERIALS nanoscale heat transport tool on nanohub.org, http://nanohub.org/resources/nmstthermal. (DOI: 10.4231/D34Q7QQ1V)​