Badri Narayanan

Asst Professor

Dr. Badri Narayanan joined the faculty of University of Louisville in August 2018, where he is currently an Assistant Professor in Mechanical Engineering. Prior to joining UofL, he held appointments at Argonne National Laboratory as Assistant Materials Scientist (2016-2018), and postdoctoral associate (2014-2016). His research group (Predictive Materials Modeling Laboratory) is interested in gaining accurate molecular-level understanding of structure-property-processing relationships in functional materials, and reactive interfaces relevant for energy applications. The overarching theme of his research is to utilize such knowledge to computationally design next-generation materials, as well as identify routes to synthesize them. He has co-authored more than 50 journal articles, including those in prestigious venues, such as Nature, Science, Proceedings of National Academy of Sciences, Nature Energy, and Nature Communications. His research work has been highlighted by various media agencies, including Chicago Tribune, Phys.Org, American Vacuum Society News, DOE Office of Science Highlights, NERSC Science News, and InsideHPC. He is the recipient of the Early Career High Impact Science Achievement Award from the National Energy Research Scientific Computing Center at Lawrence Berkeley National Laboratory (2017), and K. K. Malik Graduate Excellence Award from Indian Institute of Science (2008).

Education

Ph.D. in Materials Science, Colorado School of Mines, 2013

Publications

Journal Articles
- Narayanan, B. (2021). Visualization of Solid‐State Synthesis for Chalcogenide Na Superionic Conductors by in‐situ Neutron Diffraction. ChemSusChem
- Narayanan, B. (2020). Interface stability of LiCl-rich argyrodite Li6PS5Cl with propylene carbonate boosts high-performance lithium batteries. Electrochimica Acta
- Narayanan, B. (2011). A reactive force field for lithium–aluminum silicates with applications to eucryptite phases. Modelling Simul. Mater. Sci. Eng.
- Narayanan, B. (2021). Impact of Stabilizing Cations on Lithium Intercalation in Tunneled Manganese Oxide Cathodes. ACS Applied Energy Materials
- Narayanan, B. (2015). Strong correlations between structural order and passive state at water–copper oxide interfaces. Electrochimica Acta
- Narayanan, B. (2016). Pressure-induced phase transformation in β-eucryptite: An X-ray diffraction and density functional theory study. Scripta Materialia
- Narayanan, B. (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
- Narayanan, B. (2014). Atomistic origin of superior performance of ionic liquid electrolytes for Al-ion batteries. Phys. Chem. Chem. Phys.
- Narayanan, B. (2021). One-Dimensional Lateral Force Anisotropy at the Atomic Scale in Sliding Single Molecules on a Surface. Nano Letters
- Narayanan, B. (2018). Crude-Oil-Repellent Membranes by Atomic Layer Deposition: Oxide Interface Engineering. ACS Nano
- Narayanan, B. (2014). Tunable MoS2 bandgap in MoS2-graphene heterostructures. Appl. Phys. Lett.
- Narayanan, B. (2021). Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models. The Journal of Physical Chemistry A
- Narayanan, B. (2021). Investigation of Delamination-Induced Performance Decay at the Cathode/LLZO Interface. Chemistry of Materials
- Narayanan, B. (2020). Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms. The Journal of Physical Chemistry A
- Barai, P., Ngo, A., T., Narayanan, B., Higa, K., Curtiss, L., A. & Srinivasan, V. (2020). The Role of Local Inhomogeneities on Dendrite Growth in LLZO-Based Solid Electrolytes. Journal of The Electrochemical Society, 167(10), 100537
- Chan, H., Cherukara, M., Loeffler, T., D., Narayanan, B. & Sankaranarayanan, S. (2020). Machine learning enabled autonomous microstructural characterization in 3D samples. Machine learning enabled autonomous microstructural characterization in 3D samples, 6(1), 1
- Li, Y., Arnold, W., Jasinski, J., B., Thapa, A., Sumanasekera, G., Sunkara, M., Narayanan, B., Druffel, T. & Wang, H. (2020). Interface stability of LiCl-rich argyrodite Li6PS5Cl with propylene carbonate boosts high-performance lithium batteries. Interface stability of LiCl-rich argyrodite Li6PS5Cl with propylene carbonate boosts high-performance lithium batteries, 363, 137128
- Ward, L., Blaiszik, B., Foster, I., Assary, R., S., Narayanan, B. & Curtiss, L. (2019). Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations. MRS Communications, 9(3), 891-899
- Narayanan, B. (2016). Describing the Diverse Geometries of Gold From Nanoclusters to Bulk − a First-Principles Based Hybrid Bond Order Potential. J. Phys. Chem. C
- Narayanan, B. (2021). High temperature stability, metallic character and bonding of the Si2BN planar structure. Journal of Physics: Condensed Matter
- Narayanan, B. (2021). BLAST: bridging length/timescales via atomistic simulation toolkit. MRS Advances
- Narayanan, B. (2017). Quantitative 3D evolution of colloidal nanoparticle oxidation in solution. Science
- Narayanan, B. (2010). Elastic constants of β -eucryptite studied by density functional theory. Phys. Rev. B
- Narayanan, B. (2022). Synthesis of Fluorine-Doped Lithium Argyrodite Solid Electrolytes for Solid-State Lithium Metal Batteries. ACS Applied Materials & Interfaces
- Narayanan, B. (2014). Self-Assembly of Collagen on Flat Surfaces: The Interplay of Collagen–Collagen and Collagen–Substrate Interactions. Langmuir
- Narayanan, B. (2022). In situ ion irradiation of amorphous TiO2 nanotubes. Journal of Materials Research
- Narayanan, B. (2016). Nanoscale origin and evolution of kinetically induced defects in carbon spheres. Carbon
- Narayanan, B. (2022). Highly Efficient Interface Stabilization for Ambient-Temperature Quasi-Solid-State Sodium Metal Batteries. Chemical Engineering Journal
- Loeffler, T., D., Manna, S., Patra, T., K., Chan, H., Narayanan, B. & Sankaranarayanan, S. (2020). Active Learning A Neural Network Model For Gold Clusters & Bulk From Sparse First Principles Training Data. ChemCatChem, 12(19), 4796
- PatraTarak, K., LoefflerTroy, D., ChanHenry, ., CherukaraMathew, J., NarayananBadri, . & SankaranarayananSubramanian, K. (2019). A coarse-grained deep neural network model for liquid water. Applied Physics Letters, 115(19), 193101
- Loeffler, T., D., Chan, H., Sasikumar, K., Narayanan, B., Cherukara, M., J., Gray, S. & Sankaranarayanan, S. (2019). Teaching an Old Dog New Tricks: Machine Learning an Improved TIP3P Potential Model for LiquidâVapor Phase Phenomena. The Journal of Physical Chemistry C, 123(36), 22643
- Narayanan, B., Redfern, P., C., Assary, R., S. & Curtiss, L., A. (2019). Accurate quantum chemical energies for 133000 organic molecules. Chemical Science
- Chan, H., Cherukara, M., J., Narayanan, B., Loeffler, T., D., Benmore, C., Gray, S., K. & Sankaranarayanan, Subramanian K. R. S., . (2019). Machine learning coarse grained models for water. Nature Communications, 10, 379
- Chan, H., Narayanan, B., Cherukara, M., J., Sen, F., G., Sasikumar, K., Gray, S., K., Chan, M., K., Sankaranarayanan, S., K., Cherukara, M., J., Sen, F., G., Gray, S., K., Chan, Maria K. Y., . & Sankaranarayanan, Subramanian K. R. S., . (2019). Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data. JOURNAL OF PHYSICAL CHEMISTRY C, 123(12), 6941-6957
- Chan, H., Sasikumar, K., Srinivasan, S., Cherukara, M., Narayanan, B. & Sankaranarayanan, Subramanian K. R. S., . (2019). Machine learning a bond order potential model to study thermal transport in WSe2 nanostructures. NANOSCALE, 11(21), 10381-10392
- Patra, T., Chan, H., Podsiadlo, P., Shevchenko, E., Sankaranarayanan, S., Narayanan, B., Patra, T., K., Shevchenko, E., V. & Sankaranarayanan, Subramanian K. R. S., . (2019). Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices. NANOSCALE, 11(22), 10655-10666
- Sasikumar, K., Chan, H., Narayanan, B. & Sankaranarayanan, Subramanian K. R. S., . (2019). Machine Learning Applied to a Variable Charge Atomistic Model for Cu/Hf Binary Alloy Oxide Heterostructures. CHEMISTRY OF MATERIALS, 31(9), 3089-3102
- Zhang, H., Zuo, F., Li, F., Chan, H., Wu, Q., Zhang, Z., Narayanan, B., Ramadoss, K., Chakraborty, I., Saha, G., Kamath, G., Roy, K., Zhou, H., Chubykin, A., A., Sankaranarayanan, Subramanian K. R. S., ., Choi, J., H. & Ramanathan, S. (2019). Perovskite nickelates as bio-electronic interfaces. NATURE COMMUNICATIONS, 10
- Asadi, M., Sayahpour, B., Abbasi, P., Ngo, A., T., Karis, K., Jokisaari, J., R., Liu, C., Narayanan, B., Gerard, M., Yasaei, P., Hu, X., Mukherjee, A., Lau, K., C., Assary, R., S., Khalili-Araghi, F., Klie, R., F., Curtiss, L., A. & Salehi-Khojin, A. (2018). A lithium-oxygen battery with a long cycle life in an air-like atmosphere. NATURE, 555(7697), 502-+
- Berman, D., Narayanan, B., Cherukara, M., J., Sankaranarayanan, Subramanian K. R. S., ., Erdemir, A., Zinovev, A. & Sumant, A., V. (2018). Operando tribochemical formation of onion-like-carbon leads to macroscale superlubricity. NATURE COMMUNICATIONS, 9
- Liu, H., Dong, Y., Cherukara, M., J., Sasikumar, K., Narayanan, B., Cai, Z., Lai, B., Stan, L., Hong, S., Chan, Maria K. Y., ., Sankaranarayanan, Subramanian K. R. S., ., Zhou, H. & Fong, D., D. (2018). Quantitative Observation of Threshold Defect Behavior in Memristive Devices with Operando X-ray Microscopy. ACS NANO, 12(5), 4938-4945
- Loeffler, T., D., Chan, H., Narayanan, B., Cherukara, M., J., Gray, S. & Sankaranarayanan, Subramanian K. R. S., . (2018). Configurational-Bias Monte Carlo Back-Mapping Algorithm for Efficient and Rapid Conversion of Coarse-Grained Water Structures into Atomistic Models. JOURNAL OF PHYSICAL CHEMISTRY B, 122(28), 7102-7110
- Pang, Q., Shyamsunder, A., Narayanan, B., Kwok, C., Y., Curtiss, L., A. & Nazar, L., F. (2018). Tuning the electrolyte network structure to invoke quasi-solid state sulfur conversion and suppress lithium dendrite formation in Li--S batteries. Nature Energy, 3(9), 783
- Zhang, Z., Schwanz, D., Narayanan, B., Kotiuga, M., Dura, J., A., Cherukara, M., Zhou, H., Freeland, J., W., Li, J., Sutarto, R., He, F., Wu, C., Zhu, J., Sun, Y., Ramadoss, K., Nonnenmann, S., S., Yu, N., Comin, R., Rabe, K., M., Sankaranarayanan, Subramanian K. R. S., . & Ramanathan, S. (2018). Perovskite nickelates as electric-field sensors in salt water. NATURE, 553(7686), 68-+
- Cheng, L., Redfern, P., Lau, K., C., Assary, R., S., Narayanan, B. & Curtiss, L., A. (2017). Computational Studies of Solubilities of LiO2 and Li2O2 in Aprotic Solvents. JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 164(11), E3696-E3701
- Cherukara, M., J., Narayanan, B., Chan, H. & Sankaranarayanan, Subramanian K. R. S., . (2017). Silicene growth through island migration and coalescence. NANOSCALE, 9(29), 10186-10192
- Cherukara, M., J., Sasikumar, K., Cha, W., Narayanan, B., Leake, S., J., Dufresne, E., M., Peterka, T., McNulty, I., Wen, H., Sankaranarayanan, Subramanian K. R. S., . & Harder, R., J. (2017). Ultrafast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals. NANO LETTERS, 17(2), 1102-1108
- Fang, Y., Jiang, Y., Cherukara, M., J., Shi, F., Koehler, K., Freyermuth, G., Isheim, D., Narayanan, B., Nicholls, A., W., Seidman, D., N., Sankaranarayanan, Subramanian K. R. S., . & Tian, B. (2017). Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies. NATURE COMMUNICATIONS, 8
- Li, Y., Li, H., Pickard, F., C., Narayanan, B., Sen, F., G., Chan, Maria K. Y., ., Sankaranarayanan, Subramanian K. R. S., ., Brooks, B., R. & Roux, B. (2017). Machine Learning Force Field Parameters from Ab lnitio Data. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 13(9), 4492-4503
- Narayanan, B., Chan, H., Kinaci, A., Sen, F., G., Gray, S., K., Chan, Maria K. Y., . & Sankaranarayanan, Subramanian K. R. S., . (2017). Machine learnt bond order potential to model metal-organic (Co-C) heterostructures. NANOSCALE, 9(46), 18229-18239
- Sasikumar, K., Narayanan, B., Cherukara, M., Kinaci, A., Sen, F., G., Gray, S., K., Chan, Maria K. Y., . & Sankaranarayanan, Subramanian K. R. S., . (2017). Evolutionary Optimization of a Charge Transfer Ionic Potential Model for Ta/Ta-Oxide Heterointerfaces. CHEMISTRY OF MATERIALS, 29(8), 3603-3614
- Shin, M., Wu, H., Narayanan, B., See, K., A., Assary, R., S., Zhu, L., Haasch, R., T., Zhang, S., Zhang, Z., Curtiss, L., A. & Gewirth, A., A. (2017). Effect of the Hydrofluoroether Cosolvent Structure in Acetonitrile-Based Solvate Electrolytes on the Li+ Solvation Structure and Li-S Battery Performance. ACS APPLIED MATERIALS & INTERFACES, 9(45), 39357-39370
- Siegel, G., Ciobanu, C., V., Narayanan, B., Snure, M. & Badescu, S., C. (2017). Heterogeneous Pyrolysis: A Route for Epitaxial Growth of hBN Atomic Layers on Copper Using Separate Boron and Nitrogen Precursors. NANO LETTERS, 17(4), 2404-2413
- Sun, Y., Zuo, X., Sankaranarayanan, Subramanian K. R. S., ., Peng, S., Narayanan, B. & Kamath, G. (2017). Quantitative 3D evolution of colloidal nanoparticle oxidation in solution. SCIENCE, 356(6335), 302-304
- Wang, Y., Chan, H., Narayanan, B., McBride, S., P., Sankaranarayanan, Subramanian K. R. S., ., Lin, X. & Jaeger, H., M. (2017). Thermomechanical Response of Self-Assembled Nanoparticle Membranes. ACS NANO, 11(8), 8026-8033
- Zuo, F., Panda, P., Kotiuga, M., Li, J., Kang, M., Mazzoli, C., Zhou, H., Barbour, A., Wilkins, S., Narayanan, B., Cherukara, M., Zhang, Z., Sankaranarayanan, Subramanian K. R. S., ., Comin, R., Rabe, K., M., Roy, K. & Ramanathan, S. (2017). Habituation based synaptic plasticity and organismic learning in a quantum perovskite. NATURE COMMUNICATIONS, 8
- Berman, D., Deshmukh, S., A., Narayanan, B., Sankaranarayanan, Subramanian K. R. S., ., Yan, Z., Balandin, A., A., Zinovev, A., Rosenmann, D. & Sumant, A., V. (2016). Metal-induced rapid transformation of diamond into single and multilayer graphene on wafer scale. NATURE COMMUNICATIONS, 7
- Chen, Y., Manna, S., Narayanan, B., Wang, Z., Reimanis, I., E. & Ciobanu, C., V. (2016). Pressure-induced phase transformation in beta-eucryptite: An X-ray diffraction and density functional theory study. SCRIPTA MATERIALIA, 122, 64-67
- Cherukara, M., J., Narayanan, B., Kinaci, A., Sasikumar, K., Gray, S., K., Chan, Maria K. Y., . & Sankaranarayanan, Subramanian K. R. S., . (2016). Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7(19), 3752-3759
- Das, S., Bera, M., K., Tong, S., Narayanan, B., Kamath, G., Mane, A., Paulikas, A., P., Antonio, M., R., Sankaranarayanan, Subramanian K. R. S., . & Roelofs, A., K. (2016). A Self-Limiting Electro-Ablation Technique for the Top-Down Synthesis of Large-Area Monolayer Flakes of 2D Materials. SCIENTIFIC REPORTS, 6
- Deshrnukh, S., A., Narayanan, B., Kamath, G., Pol, V., G., Wen, J., Miller, D., J. & Sankaranarayanan, Subramanian K. R. S., . (2016). Nanoscale origin and evolution of kinetically induced defects in carbon spheres. CARBON, 96, 647-660
- Erdemir, A., Ramirez, G., Eryilmaz, O., L., Narayanan, B., Liao, Y., Kamath, G. & Sankaranarayanan, Subramanian K. R. S., . (2016). Carbon-based tribofilms from lubricating oils. NATURE, 536(7614), 67-+
- Kinaci, A., Narayanan, B., Sen, F., G., Davis, M., J., Gray, S., K., Sankaranarayanan, Subramanian K. R. S., . & Chan, Maria K. Y., . (2016). Unraveling the Planar-Globular Transition in Gold Nanoclusters through Evolutionary Search. SCIENTIFIC REPORTS, 6
- Narayanan, B., Deshmukh, S., A., Shrestha, L., K., Ariga, K., Pol, V., G. & Sankaranarayanan, Subramanian K. R. S., . (2016). Cavitation and radicals drive the sonochemical synthesis of functional polymer spheres. APPLIED PHYSICS LETTERS, 109(4)
- Narayanan, B., Kinaci, A., Sen, F., G., Davis, M., J., Gray, S., K., Chan, Maria K. Y., . & Sankaranarayanan, Subramanian K. R. S., . (2016). Describing the Diverse Geometries of Gold from Nanoclusters to Bulk-A First-Principles-Based Hybrid Bond-Order Potential. JOURNAL OF PHYSICAL CHEMISTRY C, 120(25), 13787-13800
- Narayanan, B., Sasikumar, K., Mei, Z., Kinaci, A., Sen, F., G., Davis, M., J., Gray, S., K., Chan, Maria K. Y., . & Sankaranarayanan, Subramanian K. R. S., . (2016). Development of a Modified Embedded Atom Force Field for Zirconium Nitride Using Multi-Objective Evolutionary Optimization. JOURNAL OF PHYSICAL CHEMISTRY C, 120(31), 17475-17483
- Ulvestad, A., Sasikumar, K., Kim, J., W., Harder, R., Maxey, E., Clark, J., N., Narayanan, B., Deshmukh, S., A., Ferrier, N., Mulvaney, P., Sankaranarayanan, Subramanian K. R. S., . & Shpyrko, O., G. (2016). In Situ 3D Imaging of Catalysis Induced Strain in Gold Nanoparticles. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 7(15), 3008-3013
- Narayanan, B., Deshmukh, S., A., Sankaranarayanan, Subramanian K. R. S., . & Ramanathan, S. (2015). Strong correlations between structural order and passive state at water-copper oxide interfaces. ELECTROCHIMICA ACTA, 179, 386-393
- Ebnonnasir, A., Narayanan, B., Kodambaka, S. & Ciobanu, C., V. (2014). Tunable MoS2 bandgap in MoS2-graphene heterostructures. APPLIED PHYSICS LETTERS, 105(3)
- Kamath, G., Narayanan, B. & Sankaranarayanan, Subramanian K. R. S., . (2014). Atomistic origin of superior performance of ionic liquid electrolytes for Al-ion batteries. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 16(38), 20387-20391
- Narayanan, B., Gilmer, G., H., Tao, J., De Yoreo, James J., . & Ciobanu, C., V. (2014). Self-Assembly of Collagen on Flat Surfaces: The Interplay of Collagen-Collagen and Collagen-Substrate Interactions. LANGMUIR, 30(5), 1343-1350
- Narayanan, B., Reimanis, I., E. & Ciobanu, C., V. (2013). Atomic-scale mechanism for pressure-induced amorphization of beta-eucryptite. JOURNAL OF APPLIED PHYSICS, 114(8)
- Narayanan, B., Reimanis, I., E., Huang, H. & Ciobanu, C., V. (2013). Radiation effects and tolerance mechanism in beta-eucryptite. JOURNAL OF APPLIED PHYSICS, 113(3)
- Narayanan, B., Weeks, S., L., Jariwala, B., N., Macco, B., Weber, J., Rathi, S., J., van de Sanden, Mauritius C. M., ., Sutter, P., Agarwal, S. & Ciobanu, C., V. (2013). Carbon monoxide-induced reduction and healing of graphene oxide. JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A, 31(4)
- Narayanan, B., Zhao, Y. & Ciobanu, C., V. (2012). Migration mechanism for atomic hydrogen in porous carbon materials. APPLIED PHYSICS LETTERS, 100(20)
- Narayanan, B., van Duin, Adri C. T., ., Kappes, B., B., Reimanis, I., E. & Ciobanu, C., V. (2012). A reactive force field for lithium-aluminum silicates with applications to eucryptite phases. MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 20(1)
- Narayanan, B., Reimanis, I., E., Fuller, Edwin R., Jr., . & Ciobanu, C., V. (2010). Elastic constants of beta-eucryptite studied by density functional theory. PHYSICAL REVIEW B, 81(10)
- Ahmadiparidari, A., Warburton, R., E., Majidi, L., Asadi, M., Chamaani, A., Jokisaari, J., R., Rastegar, S., Hemmat, Z., Sayahpour, B., Assary, R., S., Narayanan, B., Abbasi, P., Redfern, P., C., Ngo, A., Vörös, M., Greeley, J., Klie, R., Curtiss, L., A. & Salehi-Khojin, A. (2019). A Long-Cycle-Life Lithium-CO Battery with Carbon Neutrality. Advanced materials (Deerfield Beach, Fla.), 31(40), e1902518
- Chan, H., Cherukara, M., J., Narayanan, B., Loeffler, T., D., Benmore, C., Gray, S., K. & Sankaranarayanan, S. (2019). Machine learning coarse grained models for water. Nature communications, 10(1), 379
- Chan, H., Sasikumar, K., Srinivasan, S., Cherukara, M., Narayanan, B. & Sankaranarayanan, S. (2019). Machine learning a bond order potential model to study thermal transport in WSe nanostructures. Nanoscale, 11(21), 10381-10392
- Dandu, N., Ward, L., Assary, R., S., Redfern, P., C., Narayanan, B., Foster, I., T. & Curtiss, L., A. (2020). Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms. The journal of physical chemistry. A, 124(28), 5804-5811
- Fthenakis, Z., G., Jaishi, M., Narayanan, B., Andriotis, A., N. & Menon, M. (2021). High temperature stability, metallic character and bonding of the SiBN planar structure. Journal of physics. Condensed matter : an Institute of Physics journal
- Loeffler, T., D., Chan, H., Narayanan, B., Cherukara, M., J., Gray, S. & Sankaranarayanan, S. (2018). Configurational-Bias Monte Carlo Back-Mapping Algorithm for Efficient and Rapid Conversion of Coarse-Grained Water Structures into Atomistic Models. The journal of physical chemistry. B, 122(28), 7102-7110
- Narayanan, B., Redfern, P., C., Assary, R., S. & Curtiss, L., A. (2019). Accurate quantum chemical energies for 133 000 organic molecules. Chemical science, 10(31), 7449-7455
- Narayanan, B. (2012). Migration mechanism for atomic hydrogen in porous carbon materials. Appl. Phys. Lett.
- Narayanan, B. (2013). Atomic-scale mechanism for pressure-induced amorphization of β-eucryptite. J. Appl. Phys.
- Narayanan, B. (2013). Carbon monoxide-induced reduction and healing of graphene oxide. J. Vac. Sci. Technol. A
- Patra, T., K., Chan, H., Podsiadlo, P., Shevchenko, E., V., Sankaranarayanan, S. & Narayanan, B. (2019). Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices. Nanoscale, 11(22), 10655-10666
- Patra, T., K., Zhang, F., Schulman, D., S., Chan, H., Cherukara, M., J., Terrones, M., Das, S., Narayanan, B. & Sankaranarayanan, S. (2018). Defect Dynamics in 2-D MoS Probed by Using Machine Learning, Atomistic Simulations, and High-Resolution Microscopy. ACS nano, 12(8), 8006-8016
- Sun, Y., Kotiuga, M., Lim, D., Narayanan, B., Cherukara, M., Zhang, Z., Dong, Y., Kou, R., Sun, C., J., Lu, Q., Waluyo, I., Hunt, A., Tanaka, H., Hattori, A., N., Gamage, S., Abate, Y., Pol, V., G., Zhou, H., Sankaranarayanan, S., Yildiz, B., Rabe, K., M. & Ramanathan, S. (2018). Strongly correlated perovskite lithium ion shuttles. Proceedings of the National Academy of Sciences of the United States of America, 115(39), 9672-9677
- Yang, H., C., Xie, Y., Chan, H., Narayanan, B., Chen, L., Waldman, R., Z., Sankaranarayanan, S., Elam, J., W. & Darling, S., B. (2018). Crude-Oil-Repellent Membranes by Atomic Layer Deposition: Oxide Interface Engineering. ACS nano, 12(8), 8678-8685
- Zhang, H., T., Park, T., J., Zaluzhnyy, I., A., Wang, Q., Wadekar, S., N., Manna, S., Andrawis, R., Sprau, P., O., Sun, Y., Zhang, Z., Huang, C., Zhou, H., Zhang, Z., Narayanan, B., Srinivasan, G., Hua, N., Nazaretski, E., Huang, X., Yan, H., Ge, M., Chu, Y., S., Cherukara, M., J., Holt, M., V., Krishnamurthy, M., Shpyrko, O., G., Sankaranarayanan, S., Frano, A., Roy, K. & Ramanathan, S. (2020). Perovskite neural trees. Nature communications, 11(1), 2245
- Zhang, H., T., Zuo, F., Li, F., Chan, H., Wu, Q., Zhang, Z., Narayanan, B., Ramadoss, K., Chakraborty, I., Saha, G., Kamath, G., Roy, K., Zhou, H., Chubykin, A., A., Sankaranarayanan, S., Choi, J., H. & Ramanathan, S. (2019). Perovskite nickelates as bio-electronic interfaces. Nature communications, 10(1), 1651
- Narayanan, B. (2010). Elastic constants of β -eucryptite studied by density functional theory. Physical Review B - Condensed Matter and Materials Physics
- Narayanan, B. (2015). Towards accurate prediction of catalytic activity in IrO<inf>2</inf> nanoclusters via first principles-based variable charge force field. Journal of Materials Chemistry A
- Narayanan, B. (2016). A Self-Limiting Electro-Ablation Technique for the Top-Down Synthesis of Large-Area Monolayer Flakes of 2D Materials. Scientific Reports
- Narayanan, B. (2016). Metal-induced rapid transformation of diamond into single and multilayer graphene on wafer scale. Nature Communications
- Narayanan, B. (2016). Cavitation and radicals drive the sonochemical synthesis of functional polymer spheres. Applied Physics Letters
- Narayanan, B. (2016). Development of a Modified Embedded Atom Force Field for Zirconium Nitride Using Multi-Objective Evolutionary Optimization. Journal of Physical Chemistry C
- Narayanan, B. (2016). Carbon-based tribofilms from lubricating oils. Nature
- Narayanan, B. (2016). In Situ 3D Imaging of Catalysis Induced Strain in Gold Nanoparticles. Journal of Physical Chemistry Letters
- Narayanan, B. (2016). Ab Initio-Based Bond Order Potential to Investigate Low Thermal Conductivity of Stanene Nanostructures. Journal of Physical Chemistry Letters
- Narayanan, B. (2016). Unraveling the planar-globular transition in gold nanoclusters through evolutionary search. Scientific Reports
- Narayanan, B. (2017). Ultrafast Three-Dimensional X-ray Imaging of Deformation Modes in ZnO Nanocrystals. Nano Letters
- Narayanan, B. (2017). Heterogeneous Pyrolysis: A Route for Epitaxial Growth of hBN Atomic Layers on Copper Using Separate Boron and Nitrogen Precursors. Nano Letters
- Narayanan, B. (2017). Evolutionary Optimization of a Charge Transfer Ionic Potential Model for Ta/Ta-Oxide Heterointerfaces. Chemistry of Materials
- Narayanan, B. (2017). Silicene growth through island migration and coalescence. Nanoscale
- Narayanan, B. (2017). Habituation based synaptic plasticity and organismic learning in a quantum perovskite. Nature Communications
- Narayanan, B. (2017). Thermomechanical Response of Self-Assembled Nanoparticle Membranes. ACS Nano
- Narayanan, B. (2017). Machine Learning Force Field Parameters from Ab Initio Data. Journal of Chemical Theory and Computation
- Narayanan, B. (2017). Computational studies of solubilities of LiO<inf>2</inf> and Li<inf>2</inf>O<inf>2</inf> in aprotic solvents. Journal of the Electrochemical Society
- Narayanan, B. (2017). Effect of the Hydrofluoroether Cosolvent Structure in Acetonitrile-Based Solvate Electrolytes on the Li<sup>+</sup> Solvation Structure and Li-S Battery Performance. ACS Applied Materials and Interfaces
- Narayanan, B. (2017). Alloy-assisted deposition of three-dimensional arrays of atomic gold catalyst for crystal growth studies. Nature Communications
- Narayanan, B. (2018). Perovskite nickelates as electric-field sensors in salt water. Nature
- Narayanan, B. (2018). A lithium-oxygen battery with a long cycle life in an air-like atmosphere. Nature
- Narayanan, B. (2018). Operando tribochemical formation of onion-like-carbon leads to macroscale superlubricity. Nature Communications
- Narayanan, B. (2018). Quantitative Observation of Threshold Defect Behavior in Memristive Devices with Operando X-ray Microscopy. ACS Nano
- Narayanan, B. (2018). Configurational-Bias Monte Carlo Back-Mapping Algorithm for Efficient and Rapid Conversion of Coarse-Grained Water Structures into Atomistic Models. Journal of Physical Chemistry B
- Narayanan, B. (2018). Tuning the electrolyte network structure to invoke quasi-solid state sulfur conversion and suppress lithium dendrite formation in Li–S batteries. Nature Energy
- Narayanan, B. (2018). Strongly correlated perovskite lithium ion shuttles. Proceedings of the National Academy of Sciences of the United States of America
- Narayanan, B. (2019). Machine learning coarse grained models for water. Nature Communications
- Narayanan, B. (2019). Machine Learning Classical Interatomic Potentials for Molecular Dynamics from First-Principles Training Data. Journal of Physical Chemistry C
- Narayanan, B. (2019). Perovskite nickelates as bio-electronic interfaces. Nature Communications
- Narayanan, B. (2019). Machine Learning Applied to a Variable Charge Atomistic Model for Cu/Hf Binary Alloy Oxide Heterostructures. Chemistry of Materials
- Narayanan, B. (2019). A Long-Cycle-Life Lithium–CO<inf>2</inf> Battery with Carbon Neutrality. Advanced Materials
- Narayanan, B. (2019). Machine learning prediction of accurate atomization energies of organic molecules from low-fidelity quantum chemical calculations. MRS Communications
- Narayanan, B. (2019). A coarse-grained deep neural network model for liquid water. Applied Physics Letters
- Narayanan, B. (2020). Machine learning enabled autonomous microstructural characterization in 3D samples. npj Computational Materials
- Narayanan, B. (2020). Perovskite neural trees. Nature Communications
- Narayanan, B. (2020). The Role of Local Inhomogeneities on Dendrite Growth in LLZO-Based Solid Electrolytes. Journal of the Electrochemical Society
- Narayanan, B. (2019). Ligand dynamics control structure, elasticity, and high-pressure behavior of nanoparticle superlattices. Nanoscale
- Narayanan, B. (2019). Machine learning a bond order potential model to study thermal transport in WSe2 nanostructures. Nanoscale
- Narayanan, B. (2019). Accurate quantum chemical energies for 133 000 organic molecules. Chemical Science
- Narayanan, B. (2021). Defect dynamics in two-dimensional black phosphorus under argon ion irradiation. Nanoscale
- Narayanan, B. (2021). Exemption of lattice collapse in Ni–MnO2 birnessite regulated by the structural water mobility. Journal of Materials Chemistry A

More about Badri Narayanan

2023
Spring
- ME 675 - ADV TOPICS MECH ENGR
2022
Spring
- ME 675 - ADV TOPICS MECH ENGR
Summer
- ME 688 - IND STUDY MECH ENGR
Fall
- ME 565 - ADV ENGR MATHEMATICS I
- ME 565 - ADV ENGR MATHEMATICS I
2021
Spring
- ME 675 - ADV TOPICS MECH ENGR
- ME 688 - IND STUDY MECH ENGR
Summer
- ME 688 - IND STUDY MECH ENGR
Fall
- ME 206 - MECHANICS II:DYNAMICS
2020
Fall
- ME 206 - MECHANICS II:DYNAMICS
- ME 688 - IND STUDY MECH ENGR
Spring
- ME 575 - SPECIAL TOPICS IN ME
2019
Fall
- ME 206 - MECHANICS II:DYNAMICS
Spring
- ME 575 - SPECIAL TOPICS IN ME

Badri Narayanan

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