Publications
A (more) frequently updated list of publications is available at Badri's Google Scholar page.
** denote papers in which Badri is corresponding author; * denote equally contributing authors; + denote papers in which Badri is lead author for computations
^, and ^^ denote postdoctoral scholars, and graduate students from PMML mentored at University of Louisville.
2019
45. H. Chan,* B. Narayanan,* M. Cherukara, F. Sen, K. Sasikumar, S. Gray, M. Chan, and S. Sankaranarayanan. Machine learning classical interatomic potentials for molecular dynamics from first-principles training data. Journal of Physical Chemistry C Article ASAP DOI: 10.1021/acs.jpcc.8b09917 (2019)
44. H. Chan,* M. Cherukara,* B. Narayanan,* T. D. Loeffler, C. Benmore, S. Gray, and S. Sankaranarayanan. Machine learning coarse grained models for water. Nature Communications 10, 379 (2019)
2018
43. Y. Sun, M. Kotiuga, D. Lim, B. Narayanan, M. Cherukara, Z. Zhang, Y. Dong, R. Kou, C.-J. Sun, Q. Lu, I. Waluyo, A. Hunt, H. Tanaka, A. N. Hattori, S. Gamage, Y. Abate, V. G Pol, H. Zhou, S. Sankaranarayanan, B. Yildiz, K. M Rabe, and S. Ramanathan. Strongly correlated perovskite lithium ion shuttles. Proceedings of National Academy of Sciences 115, 9672 (2018)
42.+ Q. Pang, A. Shyamsunder, B. Narayanan, C-Y. Kwok, L. Curtiss, and L. Nazar. Tuning the electrolyte network structure to invoke quasi-solid state sulphur conversion and suppress Li dendrite formation in Li-S batteries. Nature Energy 3, 783 (2018)
41.** T. Patra, F. Zhang, D. Schulman, H. Chan, M. Cherukara, S. Das, T. Mauricio, B. Narayanan, and S. Sankaranarayanan, Defect dynamics in 2-D MoS2 probed by combining machine learning, atomistic simulations and high-resolution microscopy. ACS Nano 12, 206 (2018)
40. H.-C. Yang, Y. Xie, H. Chan, B. Narayanan, L. Chen, R. Z Waldman, S. Sankaranarayanan, J. W. Elam, and S. B. Darling. Crude oil repellant membranes by atomic layer deposition: oxide interface engineering. ACS Nano 12, 8678 (2018).
39. T. Loeffler, H. Chan,B. Narayanan, M. Cherukara, S. Gray, and S. Sankaranarayanan. A 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, 7102 (2018)
38. H. Liu, Y. Dong, M. Cherukara, K. Sasikumar, B. Narayanan, Z. Cai, B. Lai, L. Stan, S. Hong, M. Chan, S. Sankaranarayanan, H. Zhou, and D. Fong. Quantitative Observation of Threshold Defect Behavior in Memristive Devices with Operando X-ray Microscopy. ACS Nano 12, 4938 (2018)
37.+ D. Berman, B. Narayanan, M. Cherukara, S. Sankaranarayanan, A. Erdemir, A. Zinovev, and A. Sumant. Operando tribochemical formation of onion-like carbon leads to macroscale superlubricity. Nature Communications 9, 1164 (2018)
36. M. Asadi, B. Sayahpour, P. Abbasi, A. Ngo, K. Karis, J. Jokisaari, C. Liu, B. Narayanan, M. Gerard, P. Yasaei, X. Hu, A. Mukherjee, K-C. Lau, R. Assary, F. Khalili-Araghi, R. F Klie, L. A Curtiss, and A. Salehi-Khojin. A lithium–oxygen battery with a long cycle life in an air-like atmosphere. Nature 555, 502 (2018)
35.+ Z. Zhang, D. Schwanz, B. Narayanan, M. Kotiuga, J. Dura, M. Cherukara, H. Zhou, J. Freeland, J. Li, R. Sutarto, F. He, C. Wu, J. Zhu, Y. Sun, K. Ramadoss, S. Nonnenmann, N. Yu, R. Comin, K. Rabe, S. Sankaranarayanan, and S. Ramanathanan. Perovskite Nickelates as Electric Field Sensors in Salt Water. Nature 553, 68 (2018)
2017
34.** B. Narayanan, H. Chan, A. Kinaci, F. Sen, S. Gray, M. Chan, and S. Sankaranarayanan. Machine learnt bond order potential to model metal-organic (Co-C) heterostructures. Nanoscale 9, 18229 (2017) Featured on the cover of the December 2017 issue
33.+ M. Shin, H.-L. Wu, B. Narayanan, K. See, R. Assary, L. Zhu, R. Haasch, S. Zhang, Z. Zhang, L. Curtiss, and A. Gewirth. The effect of the hydrofluoroether cosolvent structure in acetonitrile-based solvate electrolytes on Li+ solvation structure and Li‒S battery performance. ACS Applied Materials 9, 39357 (2017)
32. Y. Fang, Y. Jiang, M.Cherukara, F. Shi, K. Koehler, G. Freyermuth, D. Isheim, B. Narayanan, A. Nicholls, D. Seidman, S. Sankaranarayanan and T. Bozhi. Alloy-assisted deposition of three- dimensional arrays of atomic gold catalyst for self-labelled study of complex crystal growth. Nature Communications 8, 2014 (2017)
31. G. Siegel, C. Ciobanu, B. Narayanan, M. Snure, and S. Badescu. Heterogeneous pyrolysis: a route for epitaxial growth of hBN atomic layers on copper using separate boron and nitrogen precursors. Nano Letters 12, 2404 (2017)
30. K. Sasikumar*, B. Narayanan*, M. Cherukara, A. Kinaci, F. Sen, S. Gray, M. Chan, and S. Sankaranarayanan. Evolutionary optimization of a charge transfer ionic potential model for Ta/Ta- oxide hetero-interfaces. Chemistry of Materials 29, 3603 (2017)
29. M. Cherukara*, B. Narayanan*, H. Chan, and S. Sankaranarayanan. Silicene growth through island migration and coalescence. Nanoscale 9, 10186 (2017) Featured on the cover of the August 2017 issue of Nanoscale
28.+ Y. Sun, X. Zuo, S. Peng, S. Sankaranarayanan, B. Narayanan, and G. Kamath. Quantitative 3D evolution of colloidal nanoparticle oxidation in solution. Science, 356, 303 (2017)
27. M. Cherukara, K. Sasikumar, W. Cha, B. Narayanan, S. Leake, E. Dufresne, T. Peterka, I. McNulty, H. Wen, S. Sankaranarayanan, and R. Harder. “Ultra-fast three-dimensional X-ray imaging of deformation modes in ZnO nanocrystals”. Nano Letters 17, 1102 (2017)
26. Y. Wang, H. Chan, B. Narayanan, S. McBride, S. Sankaranarayanan, X. Lin, and H. Jaeger. Thermo-mechanical response of self-assembled nanoparticle membranes. ACS Nano 11, 8026 (2017)
25. Y. Li, H. Li, F. Pickard, B. Narayanan, F. Sen, M. Chan, S. Sankaranarayanan, B. Brooks, and B. Roux. Machine learning force field parameters from ab initio data. Journal of chemical theory and computation 13, 4492 (2017)
24. F. Zuo, P. Panda, M. Kotiuga, J. Li, M. Kang, C. Mazzoli, H. Zhou, A. Barbour, S. Wilkins, B. Narayanan, M. Cherukara, Z. Zhang, S. Sankaranarayanan, R. Comin, K. M Rabe, K. Roy, and S. Ramanathan. Habituation based synaptic plasticity and organismic learning in a quantum perovskite. Nature Communications 8, 240 (2017)
23. L. Cheng, P. Redfern, K. Lau, R. Assary, B. Narayanan, and L. Curtiss. Computational Studies of Solubilities of LiO2 and Li2O2 in Aprotic Solvents. Journal of Electrochemical Society 164, E3696 (2017)
2016
22.+ A. Eridemir, G. Ramirez, O. Eryilmaz, B. Narayanan, Y. Liao, G. Kamath, and S. Sankaranarayanan. Carbon-based protective tribofilms from lubricating oils. Nature 536, 67 (2016)
21. M. Cherukara*, B. Narayanan*, A. Kinaci, K. Sasikumar, R. Harder, S. Gray, M. Chan and S. Sankaranarayanan. Ab-initio based bond order potential to investigate low thermal conductivity of stanene nanostructures. Journal of Physical Chemistry Letters 7, 3752 (2016).
20.+ D. Berman, S. Deshmukh, B. Narayanan, S. Sankaranarayanan, Z. Yan, A. Baladin, A. Zinovev, D. Rosenmann, and A. Sumant. Metal induced ultra-fast transformation of diamond into single domain graphene on wafer scale. Nature Communications 7, 12099 (2016).
19.** B. Narayanan, S. A. Deshmukh, L. K. Shreshta, K. Ariga, V. Pol, and S. Sankaranarayanan. Cavitation and radicals drive the sonochemical synthesis of functional polymer spheres. Applied Physics Letters 109, 041901 (2016)
18. B. Narayanan, K. Sasikumar, Z-G. Mei, A. Kinaci, F. Sen, M. J. Davis, S. Gray, M. K Y. Chan, and S. Sankaranarayanan. Development of a modified embedded atom force field for zirconium nitride using multi-objective evolutionary optimization. Journal of Physical Chemistry C 120, 17475 (2016)
17. B. Narayanan, A. Kinaci, F. Sen, M. J. Davis, S. Gray, M. K Y. Chan, and S. Sankaranarayanan. Describing the diverse geometries of gold from nanoclusters to bulk – a first-principles based hybrid bond order potential. Journal of Physical Chemistry C 120, 13787 (2016)
16. A. Kinaci, B. Narayanan, F. Sen, M. Davis, S. Gray, S. Sankaranarayanan, and M.Chan. Unraveling the planar-globular transition in gold nanoclusters through evolutionary search. Scientific Reports 6, 34974 (2016).
15. A. Ulvestad, K. Sasikumar, J. W. Kim, R.Harder, E.Maxey, J.N.Clark, B. Narayanan, S.A. Deshmukh, N. Ferrier, P. Mulvaney, S.K.R.S. Sankaranarayanan, and O.G. Shpyrko. In-situ 3D imaging of catalysis induced strain in gold nanoparticles. Journal of Physical Chemistry Letters 7, 3008 (2016)
14. S. Das, M. Bera, S. Tong, B. Narayanan, G. Kamath, A. Mane, M. Antonio, S. Sankaranarayanan and A. Roelofs. A self-limiting electro-ablation technique for the top-down synthesis of large area monolayers of 2D materials. Scientific Reports 6, 28195 (2016)
13. Y. Chen, S. Manna, B. Narayanan, Z. Wang, I. E. Reimanis, C. V. Ciobanu. Pressure-induced phase transformation in β-eucryptite: an x-ray diffraction and density functional theory study. Scripta Materialia 122, 64 (2016)
12. S. A. Deshmukh, B. Narayanan, G. Kamath, V. Pol, J. Wen, D. Miller, and S. Sankaranarayanan. Nanoscale origin and evolution of kinetically induced defects in carbon spheres. Carbon 96, 647 (2016)
2010-2015
11. (Invited) B. Narayanan, S. Deshmukh, S. Sankaranarayanan, and S. Ramanathan. Strong correlations between structural order and passive state at water–copper oxide interfaces. Electrochimica Acta 179, 386 (2015)
10. F. Sen, A. Kinaci, B. Narayanan, S Gray, M. Davis, S. Sankaranarayanan, M. Chan. Towards accurate prediction of catalytic activity in IrO2 nanoclusters via first principles-based variable charge force field. Journal of Materials Chemistry A 37, 18970 (2015)
9. B. Narayanan, G. Gilmer, J. Tao, J. DeYoreo, and C. Ciobanu. Self-assembly of collagen on surfaces: the interplay of collagen-collagen and collagen-substrate interactions. Langmuir 30, 1343 (2014)
8. G. Kamath, B. Narayanan, and S. Sankaranarayanan. Atomistic origin of superior performance of ionic liquid electrolytes for Al-ion batteries. Physical Chemistry Chemical Physics 16, 20387 (2014)
7. A. Ebnonnasir, B. Narayanan, S. Kodambaka, and C.V. Ciobanu. Tunable MoS2 bandgap in MoS2-graphene heterostructures. Applied Physics Letters 105, 031603 (2014)
6. B. Narayanan, I. Reimanis, and C. Ciobanu. Atomic-scale mechanism for pressure-induced amorphization of β-eucryptite. Journal of Applied Physics 114, 083520 (2013)
5. B. Narayanan, S. Weeks, B. Jariwala, B. Macco, J. -W. Weber, S. Rathi, M. van de Sanden, P. Sutter, S. Agarwal and C. V. Ciobanu. Carbon monoxide induced reduction and healing of graphene oxide. Journal of Vacuum Science and Technology A 31, 040601 (2013) Featured on the cover of July 2013 issue. Featured in the Research Highlights of American Vacuum Society (June 2013)
4. B.Narayanan, I.Reimanis, H.Huang and C.Ciobanu. Radiation effects and tolerance mechanism in β-eucryptite. Journal of Applied Physics 113, 033504 (2013)
3. B. Narayanan, Y. Zhao and C. Ciobanu. Migration mechanism for atomic hydrogen in porous carbon materials. Applied Physics Letters 100, 203901 (2012)
2. B. Narayanan, A. van Duin, B. Kappes, I. Reimanis, and C. Ciobanu. A reactive force field for lithium–aluminum silicates with applications to eucryptite phases. Modelling and Simulation in Materials Science and Engineering 20, 015002 (2012)
1. B. Narayanan, I. Reimanis, E. Fuller, Jr. and C. Ciobanu. Elastic constants of β-eucryptite studied by density functional theory. Physical Review B 81, 104106 (2010).