A slip-spring framework to study relaxation dynamics of entangled wormlike micelles with kinetic Monte Carlo algorithm S Pahari, B Bhadriraju, M Akbulut, JSI Kwon Journal of Colloid and Interface Science 600, 550-560, 2021 | 33 | 2021 |
DFT–kMC analysis for identifying novel bimetallic electrocatalysts for enhanced NRR performance by suppressing HER at ambient conditions via active-site separation CH Lee, S Pahari, N Sitapure, MA Barteau, JSI Kwon ACS Catalysis 12 (24), 15609-15617, 2022 | 32 | 2022 |
Optimal pumping schedule with high-viscosity gel for uniform distribution of proppant in unconventional reservoirs S Pahari, P Bhandakkar, M Akbulut, JSI Kwon Energy 216, 119231, 2021 | 31 | 2021 |
Investigating high-performance non-precious transition metal oxide catalysts for nitrogen reduction reaction: a multifaceted DFT–kMC–LSTM approach CH Lee, S Pahari, N Sitapure, MA Barteau, JSI Kwon ACS Catalysis 13 (13), 8336-8346, 2023 | 24 | 2023 |
Estimation of microstructural properties of wormlike micelles via a multi-scale multi-recommendation batch bayesian optimization S Pahari, J Moon, M Akbulut, S Hwang, JSI Kwon Industrial & Engineering Chemistry Research 60 (43), 15669-15678, 2021 | 17 | 2021 |
Model predictive control for wormlike micelles (WLMs): Application to a system of CTAB and NaCl S Pahari, J Moon, M Akbulut, S Hwang, JSI Kwon Chemical Engineering Research and Design 174, 30-41, 2021 | 14 | 2021 |
Multiscale kinetic modeling of biomass fractionation in an experiment: Understanding individual reaction mechanisms and cellulose degradation S Pahari, J Kim, HK Choi, M Zhang, A Ji, CG Yoo, JSI Kwon Chemical Engineering Journal 467, 143021, 2023 | 11 | 2023 |
Investigation on CO2 bio-mitigation using Halomonas stevensii in laboratory scale bioreactor: Design of downstream process and its economic feasibility analysis S Mishra, S Pahari, K Siva, S Mohanty, S Gupta, S Raghuvanshi Journal of CO2 Utilization 24, 274-286, 2018 | 11 | 2018 |
SAXS-guided unbiased coarse-grained Monte Carlo simulation for identification of self-assembly nanostructures and dimensions S Pahari, S Liu, CH Lee, M Akbulut, JSI Kwon Soft Matter 18 (28), 5282-5292, 2022 | 9 | 2022 |
Dynamic, hollow nanotubular networks with superadjustable pH-responsive and temperature resistant rheological characteristics S Liu, YT Lin, B Bhat, S Pahari, KY Kuan, A De, JSI Kwon, MES Akbulut Chemical Engineering Journal 452, 139364, 2023 | 8 | 2023 |
Rheological dynamics and structural characteristics of supramolecular assemblies of β-cyclodextrin and sulfonic surfactants B Bhat, S Pahari, JSI Kwon, MES Akbulut Soft Matter 19 (12), 2231-2240, 2023 | 7 | 2023 |
Nanostructural and rheological transitions of pH-responsive supramolecular systems involving a zwitterionic amphiphile and a triamine B Bhat, S Pahari, S Liu, YT Lin, JSI Kwon, M Akbulut Colloids and Surfaces A: Physicochemical and Engineering Aspects 654, 130067, 2022 | 6 | 2022 |
Advancing biomass fractionation with real-time prediction of lignin content and MWd: A kMC-based multiscale model for optimized lignin extraction J Kim, S Pahari, J Ryu, M Zhang, Q Yang, CG Yoo, JSI Kwon Chemical Engineering Journal 479, 147226, 2024 | 5 | 2024 |
Unveiling latent chemical mechanisms: Hybrid modeling for estimating spatiotemporally varying parameters in moving boundary problems S Pahari, P Shah, J Sang-Il Kwon Industrial & Engineering Chemistry Research 63 (3), 1501-1514, 2024 | 4 | 2024 |
Stochastic optimal control of mesostructure of supramolecular assemblies using dissipative particle dynamics and dynamic programming with experimental validation S Pahari, YT Lin, S Liu, CH Lee, M Akbulut, JSI Kwon Chemical Engineering Journal 475, 145087, 2023 | 4 | 2023 |
Development of a soft sensor to estimate the rheological properties of self-assembled systems: application to wormlike micelles (WLMs) S Pahari, J Moon, M Akbulut, S Hwang, JSI Kwon IFAC-PapersOnLine 55 (7), 940-945, 2022 | 2 | 2022 |
Achieving robustness in hybrid models: A physics-informed regularization approach for spatiotemporal parameter estimation in PDEs S Pahari, P Shah, JSI Kwon Chemical Engineering Research and Design 204, 292-302, 2024 | 1 | 2024 |
Stimuli-responsive viscosity modifiers B Bhat, S Pahari, JSI Kwon, MES Akbulut Advances in Colloid and Interface Science, 103025, 2023 | 1 | 2023 |
11 MODELING BIOMASS DEGRADATION WITH MULTISCALE kMC SIMULATIONS J Kim, S Pahari, JSI Kwon Energy Systems and Processes, 2023 | 1 | 2023 |
Influence of chain length of amido betaines and amine degree of diamines on the binary supramolecular assembly and viscosity dynamics of amido betaine/diamine coacervates YT Lin, W Zhou, S Liu, B Bhat, KY Kuan, S Pahari, J Kwon, MES Akbulut JCIS Open 14, 100112, 2024 | | 2024 |