https://scholar.google.com/citations?user=M2Tdyk0AAAAJ&hl=en
9) K. Sasikumar, R. Ranganathan, S. Rokkam, T. Desai, R. Burnes and P. Cross, "Development of chemical kinetics models from atomistic reactive molecular dynamics simulations: Application to iso-octane combustion and rubber ablative degradation", The Journal of Physical Chemistry A 126 (21), 3358–3372 (2022).
8) K. Sasikumar, H. Chan, B. Narayanan and S. K. R. S. Sankaranarayanan, "Machine learning applied to a variable charge atomistic model for Cu/Hf binary alloy oxide heterostructures", Chemistry of Materials 31 (9), 3089–3102 (2019).
7) M. J. Cherukara, D. S. Schulmann , K. Sasikumar, A. J. Arnold, H. Chan, S. Sadasivam, W. Cha, J. Maser, S. Das, S. K.R.S. Sankaranarayanan and R. J. Harder, "Three-dimensional integrated x-ray diffraction imaging of a native strain in multi-layered WSe2", Nano Letters 18 (3), 1993-2000 (2018).
6) M. Cherukara, K. Sasikumar, A. Di Chiara, S. J. Leake, W. Cha, E. Dufresne, T. Peterka, I. McNulty, D. Walko, H. Wen, S. K. R. S. Sankaranarayanan and R. J. Harder, "Ultrafast three-dimensional integrated imaging of strain in core/shell semiconductor/metal nanostructures", Nano Letters 17 (12), 7696-7701 (2017).
5) K. Sasikumar, B. Narayanan, M. Cherukara, A. Kinaci, F. G. Sen, S. K. Gray, M. K. Y. Chan and Subramanian K. R. S. Sankaranarayanan, "Evolutionary optimization of a charge transfer ionic potential model for Ta/Ta-Oxide heterointerfaces", Chemistry of Materials 29 (8), 3603–3614 (2017).
4) M. J. Cherukara, K. Sasikumar, W. Cha, B. Narayanan, S. J. Leake, E. M. Dufresne, T. Peterka, I. McNulty, H. Wen, S. K. R. S. Sankaranarayanan and R. J. Harder, "Ultrafast three-dimensional x-ray imaging of deformation modes in ZnO Nanocrystals", Nano Letters 17 (2), 1102-1108 (2017).
3) K. Sasikumar and P. Keblinski, "Molecular dynamics investigation of nanoscale cavitation dynamics", Journal of Chemical Physics 141 (23), 12B648_1 (2014).
2) K. Sasikumar, Z. Liang, D. G. Cahill and P. Keblinski, "Curvature induced phase stability of an intensely heated liquid", Journal of Chemical Physics 140 (23), 234506 (2014).
1) K. Sasikumar and P. Keblinski, "Effect of chain conformation in the phonon transport across a Si-polyethylene single-molecule covalent junction", Journal of Applied Physics 109 (11), 114307 (2011).
21) D. Firaha, Y. M. Liu, J. van de Streek, K. Sasikumar, H. Dietrich, J. Helfferich, L. Aerts, D. E Braun, A. Broo, A. G DiPasquale, A. Y. Lee, S. L. Meur, S. O. N. Lill, W. J. Lunsmann, A. Mattei, P. Muglia, O. D. Putra, M. Raoui, S. M. Reutzel-Edens, S. Rome, A. Y. Sheikh, A. Tkatchenko, G. R. Woollam, and M. A. Neumann, "Predicting crystal form stability under real-world conditions", Nature 623 (7986), 324-328 (2023).
20) R. Kumar, P. Bharti, K. Sasikumar, C. Dhand, R. Kumar, P. Kumar, S. K. R. S. Sankaranarayanan and N. Dwivedi, "Atomic cross-talk at the interface: Enhanced lubricity and wear and corrosion resistance in sub-2-nm hybrid overcoats via strengthened interface chemistry", Nano Letters 22 (24), 9795-9804 (2022).
19) A. Mattei, R. S. Hong, H. Dietrich, D. Firaha, J. Helfferich, Y. M. Liu, K. Sasikumar, N. S. Abraham, R. M. Bhardwaj, M. A. Neumann and A. Y. Sheikh, "Efficient crystal structure prediction for structurally related molecules with accurate and transferable tailor-made force fields", Journal of Chemical Theory and Computation 18 (9), 5725–5738 (2022).
18) S. Manna, T. D. Loeffler, R. Batra, S. Banik, H. Chan, B. Varughese, K. Sasikumar, M. Sternberg, T. Peterka, M. J. Cherukara, S. K. Gray, B. G. Sumpter and S. K. R. S. Sankaranarayanan, "Learning in continuous action space for developing high dimensional potential energy models", Nature Communications 13, 368 (2022).
17) N. Dwivedi, A. K. Ott, K. Sasikumar, C. Dou, R. J. Yeo, B. Narayanan, U. Sassi, D. D. Fazio, G. Soavi, T. Dutta, O. Balci, S. Shinde, J. Zhang, A. K. Katiyar, P. S. Keatley, A. K. Srivastava, S. K. R. S. Sankaranarayanan, A. C. Ferrari and C. S. Bhatia, "Graphene overcoats for ultra-high storage density magnetic media", Nature Communications 12, 2854 (2021).
16) N. Dwivedi, T. Patra, J.-B. Lee, R. J. Yeo, S. Srinivasan, T. Dutta, K. Sasikumar, C. Dhand, S. Tripathy, M. S. M. Saifullah, A. Danner, S. A. R. Hashmi, A. K. Srivastava, J.-H. Ahn, S. K. R. S Sankaranarayanan, H. Yang and C. S. Bhatia, "Slippery and wear-resistant surfaces enabled by interface engineered graphene", Nano Letters 20 (2), 905–917 (2020).
15) T. D. Loeffler, H. Chan, K. Sasikumar, B. Narayanan, M. J. Cherukara, S. Gray and S. K. R. S. Sankaranarayanan, "Teaching an old dog new tricks: Machine learning an improved TIP3P potential model for liquid–vapor phase phenomena", The Journal of Physical Chemistry C 123 (36), 22643–22655 (2019).
14) H. Chan, K. Sasikumar, S. Srinivasan, M. Cherukara, B. Narayanan and S. K. R. S. Sankaranarayanan, "Machine learning a bond order potential model to study thermal transport in WSe2 nanostructures", Nanoscale 11, 10381-10392 (2019).
13) H. Wu, A. M. Khan, B. Johnson, K. Sasikumar, Y.-W. Chung and Q. J. Wang, "Formation and nature of carbon-containing tribofilms", ACS Applied Materials and Interfaces 11 (17), 16139–16146 (2019).
12) H. Chan, B. Narayanan, M. J. Cherukara, F. G. Sen, K. Sasikumar, S. K. Gray, M. K. Y. Chan and S. K. R. S. Sankaranarayanan, "Machine learning classical interatomic potentials for molecular dynamics from first-principles training data", The Journal of Physical Chemistry C 123 (12), 6941-6957 (2019).
11) D. Kim, M. Chung, J. Carnis, S. Kim, K. Yun, J. Kang, W. Cha, M. J. Cherukara, E. Maxey, R. Harder, K. Sasikumar, S. K. R. S Sankaranarayanan, A. Zozulya, M. Sprung, D. Riu and H. Kim, "Active site localization of methane oxidation on Pt nanocrystals", Nature Communications 9, 3422 (2018).
10) H. Liu, Y. Dong, M. J. Cherukara, K. Sasikumar, B. Narayanan, Z. Cai, B. Lai, L. Stan, S. Hong, M. K. Y. Chan, S. K. R. S. Sankaranarayanan, H. Zhou and D. D. Fong, "Quantitative observation of threshold defect behavior in memristive devices with operando x-ray microscopy", ACS Nano 12 (5), 4938-4945 (2018).
9) S. Sonde, B. Chakrabarti, Y. Liu, K. Sasikumar, J. Lin, L. Stan, R. Divan, L. E. Ocola, D. Rosenmann, P. Choudhury, K. Ni, S. K. R. S. Sankaranarayanan, S. Datta and S. Guha, "Silicon compatible Sn-based resistive switching memory", Nanoscale 10 (20), 9441-9449 (2018).
8) Y. Zhu, F. Chen, J. Park, K. Sasikumar, B. Hu, A. R. Damodaran, I. W. Jung, M. J. Highland, Z. Cai, I.-C. Tung, D. A. Walko, J. W. Freeland, L. W. Martin, S. K. R. S. Sankaranarayanan, P. G. Evans, A. M. Lindenberg and H. Wen, "Structural imaging of nanoscale phonon transport in ferroelectrics excited by metamaterial-enhanced terahertz fields", Physical Review Materials 1 (6), 060601 (2017).
7) M. Dreher, K. Sasikumar, S. Sankaranarayanan and T. Peterka, "Manala: a flexible flow control library for asynchronous task communication", 2017 IEEE International Conference on Cluster Computing (CLUSTER), 10.1109/CLUSTER.2017.31 (2017).
6) M. J. Cherukara, B. Narayanan, A. Kinaci, K. Sasikumar, S. K. Gray, M. K. Y. Chan and S. K. R. S. Sankaranarayanan, "Ab initio-based bond order potential to investigate low thermal conductivity of stanene nanostructures", Journal of Physical Chemistry Letters 7 (19), 3752-3759 (2016).
5) B. Narayanan, K. Sasikumar, Z.-G. Mei, A. Kinaci, F. G. Sen, M. J. Davis, S. K. Gray, M. K. Y. Chan and S. K. R. S. Sankaranarayanan, "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 (2016).
4) 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, 3008-3013 (2016).
3) R. Ranganathan, K. Sasikumar and Pawel Keblinski, "Realizing tunable molecular thermal devices based on photoisomerism—Is it possible?", Journal of Applied Physics 117 (2), 025305 (2015).
2) Z. Liang, K. Sasikumar and P. Keblinski, "Thermal transport across a substrate–thin-film interface: effects of film thickness and surface roughness", Physical Review Letters 113 (6), 065901 (2014).
1) Z. Liang, K. Sasikumar and P. Keblinski, "Liquid phase stability under an extreme temperature gradient", Physical Review Letters 111 (22), 225701 (2013).
1) S. Rokkam, R. Ranganathan, D. Brenner, K. Sasikumar and P. Keblinski, "Methodology development of atomistically-informed chemical kinetics model for rubber composite materials", NAVAIR STTR Phase II Option Final Technical Report, Distribution B, Contract number: N68335-13-C-0119, June 2016.