| Hierarchically structured bioinspired nanocomposites D Nepal, S Kang, KM Adstedt, K Kanhaiya, MR Bockstaller, LC Brinson, ... Nature materials 22 (1), 18-35, 2023 | 286 | 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 | 117 | 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 | 75 | 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 | 74 | 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 | 63 | 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 | 53 | 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 | 53 | 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 | 51 | 2018 |
| Implementing reactivity in molecular dynamics simulations with the interface force field (IFF-R) and other harmonic force fields JJ Winetrout, K Kanhaiya ArXivorg, 2021 | 27* | 2021 |
| 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 | 21 | 2014 |
| 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 | 19 | 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 | 15 | 2018 |
| 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 | 12 | 2023 |
| 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 | 7 | 2022 |
| Implementing Reactivity in Molecular Dynamics Simulations with the Interface Force Field (IFF-R) and Other Harmonic Force Fields. arXiv 2021 JJ Winetrout, K Kanhaiya, G Sachdeva, R Pandey, B Damirchi, A Duin, ... arXiv preprint arXiv.2107.14418, 0 | 6 | |
| 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 | 1 | 2023 |
| 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 |
| Development and Application of Reliable Models for the Simulation of Metals and Oxides at the Nanoscale K Kanhaiya University of Colorado at Boulder, 2022 | 1 | 2022 |
| 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 |
| Explaining Improvements in Li-Ion Battery Performance By Atomic Layer Deposition of Alumina Using Molecular Dynamics Simulation JA Nguyen, A Becker, K Kanhaiya, A Weimer, H Heinz 2022 AIChE Annual Meeting, 2022 | | 2022 |
