| Hierarchically structured bioinspired nanocomposites D Nepal, S Kang, KM Adstedt, K Kanhaiya, MR Bockstaller, LC Brinson, ... Nature materials 22 (1), 18-35, 2023 | 509 | 2023 |
| CHARMM-GUI nanomaterial modeler for modeling and simulation of nanomaterial systems YK Choi, NR Kern, S Kim, K Kanhaiya, Y Afshar, SH Jeon, S Jo, ... Journal of chemical theory and computation 18 (1), 479-493, 2021 | 195 | 2021 |
| Molecular dynamics modeling of epoxy resins using the reactive interface force field GM Odegard, SU Patil, PP Deshpande, K Kanhaiya, JJ Winetrout, ... Macromolecules 54 (21), 9815-9824, 2021 | 110 | 2021 |
| Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials K Kanhaiya, S Kim, W Im, H Heinz npj Computational Materials 7 (1), 17, 2021 | 108 | 2021 |
| Force field for calcium sulfate minerals to predict structural, hydration, and interfacial properties RK Mishra, K Kanhaiya, JJ Winetrout, RJ Flatt, H Heinz Cement and Concrete Research 139, 106262, 2021 | 76 | 2021 |
| ReaxFF reactive force field study of polymerization of a polymer matrix in a carbon nanotube-composite system B Damirchi, M Radue, K Kanhaiya, H Heinz, GM Odegard, ACT Van Duin The Journal of Physical Chemistry C 124 (37), 20488-20497, 2020 | 63 | 2020 |
| Reliable computational design of biological-inorganic materials to the large nanometer scale using Interface-FF CC Dharmawardhana, K Kanhaiya, TJ Lin, A Garley, MR Knecht, J Zhou, ... Molecular Simulation 43 (13-16), 1394-1405, 2017 | 60 | 2017 |
| Atomic-scale structure and stress release mechanism in core–shell nanoparticles M Nathanson, K Kanhaiya, A Pryor Jr, J Miao, H Heinz ACS nano 12 (12), 12296-12304, 2018 | 53 | 2018 |
| Implementing reactivity in molecular dynamics simulations with harmonic force fields JJ Winetrout, K Kanhaiya, J Kemppainen, PJ in ‘t Veld, G Sachdeva, ... Nature communications 15 (1), 7945, 2024 | 41 | 2024 |
| Implementing reactivity in molecular dynamics simulations with the interface force field (IFF-R) and other harmonic force fields JJ Winetrout, K Kanhaiya ArXivorg, 2021 | 32 | 2021 |
| Accurate force fields for atomistic simulations of oxides, hydroxides, and organic hybrid materials up to the micrometer scale K Kanhaiya, M Nathanson, PJ in’t Veld, C Zhu, I Nikiforov, EB Tadmor, ... Journal of Chemical Theory and Computation 19 (22), 8293-8322, 2023 | 31 | 2023 |
| Depinning of drops on inclined smooth and topographic surfaces: experimental and lattice Boltzmann model study S Bommer, H Scholl, R Seemann, K Kanhaiya, V Sheraton M, N Verma Langmuir 30 (37), 11086-11095, 2014 | 25 | 2014 |
| Boron nitride nanotubes: force field parameterization, epoxy interactions, and comparison with carbon nanotubes for high-performance composite materials SS Bamane, MB Jakubinek, K Kanhaiya, B Ashrafi, H Heinz, GM Odegard ACS Applied Nano Materials 6 (5), 3513-3524, 2023 | 22 | 2023 |
| Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity A Pryor Jr, A Rana, R Xu, JA Rodriguez, Y Yang, M Gallagher-Jones, ... Scientific reports 8 (1), 8284, 2018 | 17 | 2018 |
| Adsorption and diffusion of oxygen on pure and partially oxidized metal surfaces in ultrahigh resolution K Kanhaiya, H Heinz Nano Letters 22 (13), 5392-5400, 2022 | 9 | 2022 |
| Analyzing the Li–Al–O Interphase of Atomic Layer-Deposited Al2O3 Films on Layered Oxide Cathodes Using Atomistic Simulations JA Nguyen, A Becker, K Kanhaiya, H Heinz, AW Weimer ACS Applied Materials & Interfaces 16 (1), 1861-1875, 2023 | 5 | 2023 |
| Development and Application of Reliable Models for the Simulation of Metals and Oxides at the Nanoscale K Kanhaiya University of Colorado at Boulder, 2022 | 2 | 2022 |
| Force field parameterization and molecular dynamics simulation of epoxy resin interaction with boron nitride nanotube surfaces SS Bamane, K Kanhaiya, H Heinz, G Odegard | 1 | 2022 |
| Light-induced quantum friction of carbon nanotubes in water T Kistwal, K Kanhaiya, A Buchmann, C Ma, J Nikolic, J Ackermann, ... arXiv preprint arXiv:2503.12580, 2025 | | 2025 |
| Understanding the Nanostructure and Performance of Alumina Atomic Layer Deposited Films on a Layered Cathode Oxide Surface Using Molecular Dynamics Simulation JA Nguyen, A Becker, K Kanhaiya, A Weimer, H Heinz 2022 AIChE Annual Meeting, 2022 | | 2022 |
