| Comparing hydrothermal sintering and cold sintering process: mechanisms, microstructure, kinetics and chemistry A Ndayishimiye, MY Sengul, SH Bang, K Tsuji, K Takashima, ... Journal of the European Ceramic Society 40 (4), 1312-1324, 2020 | 85 | 2020 |
| Water‐Mediated Surface Diffusion Mechanism Enables the Cold Sintering Process: A Combined Computational and Experimental Study MY Sengul, J Guo, CA Randall, ACT van Duin Angewandte Chemie 131 (36), 12550-12554, 2019 | 68 | 2019 |
| Roadmap for densification in cold sintering: Chemical pathways A Ndayishimiye, MY Sengul, T Sada, S Dursun, SH Bang, ZA Grady, ... Open Ceramics 2, 100019, 2020 | 66 | 2020 |
| ReaxFF molecular dynamics study on the influence of temperature on adsorption, desorption, and decomposition at the acetic acid/water/ZnO (101̅0) interface enabling cold sintering MY Sengul, CA Randall, ACT Van Duin ACS applied materials & interfaces 10 (43), 37717-37724, 2018 | 52 | 2018 |
| Development of a ReaxFF reactive force field for lithium ion conducting solid electrolyte Li 1+ x Al x Ti 2− x (PO 4) 3 (LATP) YK Shin, MY Sengul, ASM Jonayat, W Lee, ED Gomez, CA Randall, ... Physical Chemistry Chemical Physics 20 (34), 22134-22147, 2018 | 37 | 2018 |
| INDEEDopt: a deep learning-based ReaxFF parameterization framework MY Sengul, Y Song, N Nayir, Y Gao, Y Hung, T Dasgupta, ACT van Duin npj Computational Materials 7 (1), 68, 2021 | 34* | 2021 |
| ReaxFF molecular dynamics simulation of intermolecular structure formation in acetic acid-water mixtures at elevated temperatures and pressures MY Sengul, CA Randall, ACT Van Duin The Journal of chemical physics 148 (16), 2018 | 28 | 2018 |
| Harnessing deep learning for optimization of lennard-jones parameters for the polarizable classical drude oscillator force field P Chatterjee, MY Sengul, A Kumar, AD MacKerell Jr Journal of chemical theory and computation 18 (4), 2388-2407, 2022 | 19 | 2022 |
| Dynamics of the chemically driven densification of barium titanate using molten hydroxides A Ndayishimiye, MY Sengul, D Akbarian, Z Fan, K Tsuji, SH Bang, ... Nano letters 21 (8), 3451-3457, 2021 | 16 | 2021 |
| Atomic-scale probing of defect-assisted Ga intercalation through graphene using ReaxFF molecular dynamics simulations N Nayir, MY Sengul, AL Costine, P Reinke, S Rajabpour, A Bansal, ... Carbon 190, 276-290, 2022 | 12 | 2022 |
| A ReaxFF Force Field for 2D-WS2 and Its Interaction with Sapphire N Nayir, YK Shin, Y Wang, MY Sengul, DR Hickey, M Chubarov, ... The Journal of Physical Chemistry C 125 (32), 17950-17961, 2021 | 12 | 2021 |
| Morphological and chemical evolution of transient interfaces during zinc oxide cold sintering process SH Bang, MY Sengul, Z Fan, A Ndayishimiye, ACT van Duin, CA Randall Materials Today Chemistry 24, 100925, 2022 | 11 | 2022 |
| Roadmap for densification in cold sintering: Chemical pathways, Open Ceram. 2(2020) 100019 A Ndayishimiye, MY Sengul, T Sada, S Dursun, SH Bang, ZA Grady, ... | 10 | 2020 |
| Accurate modeling of RNA hairpins through the explicit treatment of electronic polarizability with the classical Drude oscillator force field MY Sengul, AD MacKerell Jr Journal of computational biophysics and chemistry 21 (04), 461-471, 2022 | 9 | 2022 |
| Duckweed growth model for large-scale applications: Optimizing harvesting regime and intrinsic growth rate via machine learning to maximize biomass yields O Calicioglu, MY Sengul, PV Femeena, RA Brennan Journal of Cleaner Production 324, 129120, 2021 | 8 | 2021 |
| Atomistic level aqueous dissolution dynamics of NASICON-Type Li 1+ x Al x Ti 2− x (PO 4) 3 (LATP) MY Sengul, A Ndayishimiye, W Lee, JH Seo, Z Fan, YK Shin, ED Gomez, ... Physical Chemistry Chemical Physics 24 (7), 4125-4130, 2022 | 6 | 2022 |
| Optimization of ReaxFF Reactive Force Field Parameters for Cu/Si/O Systems via Neural Network Inversion with Application to Copper Oxide Interaction with Silicon KA Roshan, MK Talkhoncheh, MY Sengul, DJ Miller, ACT van Duin The Journal of Physical Chemistry C 127 (41), 20445-20458, 2023 | 2 | 2023 |
| CLAIMED: A CLAssification-Incorporated Minimum Energy Design to explore a multivariate response surface with feasibility constraints MY Sengul, Y Song, L He, ACT van Duin, Y Hung, T Dasgupta IEEE Transactions on Automation Science and Engineering, 2021 | 1 | 2021 |
| Influence of Mg2+ Distribution on the Stability of Folded States of the Twister Ribozyme Revealed Using Grand Canonical Monte Carlo and Generative Deep … MY Sengul, AD MacKerell Jr ACS omega 8 (22), 19532-19546, 2023 | | 2023 |
| Enhanced Sampling of RNA Folding/Unfolding Configurations using Machine Learning/Grand Canonical Monte Carlo MY Sengul, AA Kognole, AD MacKerell Biophysical Journal 120 (3), 195a, 2021 | | 2021 |
