Hybrid modeling of first-principles and machine learning: A step-by-step tutorial review for practical implementation

P Shah, S Pahari, R Bhavsar, JSI Kwon - Computers & Chemical …, 2024 - Elsevier
In recent years, the integration of mechanistic process models with advanced machine
learning techniques has led to the development of hybrid models, which have shown …

Stimuli-responsive viscosity modifiers

B Bhat, S Pahari, JSI Kwon, MES Akbulut - Advances in Colloid and …, 2023 - Elsevier
Stimuli responsive viscosity modifiers entail an important class of materials which allow for
smart material formation utilizing various stimuli for switching such as pH, temperature, light …

Achieving optimal paper properties: A layered multiscale kMC and LSTM-ANN-based control approach for kraft pul**

P Shah, HK Choi, JSI Kwon - Processes, 2023 - mdpi.com
The growing demand for various types of paper highlights the importance of optimizing the
kraft pul** process to achieve desired paper properties. This work proposes a novel …

Multiobjective Optimization of Plastic Waste Sorting and Recycling Processes Considering Economic Profit and CO2 Emissions Using Nondominated Sorting Genetic …

J Lee, J Lim, C Joo, Y Ahn, H Cho… - … Sustainable Chemistry & …, 2022 - ACS Publications
Plastic waste has become a severe threat to the environment as increasing amounts of
plastic waste are generated every year. To solve this problem, it is crucial to increase the …

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 …, 2024 - ACS Publications
Hybrid modeling has gained substantial recognition due to its capacity to seamlessly
integrate machine learning methodologies while preserving the fundamental physical …

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… - Chemical Engineering …, 2023 - Elsevier
Recently, the interest in stimuli-responsive and adaptable materials has continuously grown
in various fields and applications. For such responsive systems, different triggers, including …

Physics-based penalization for hyperparameter estimation in gaussian process regression

J Kim, C Luettgen, K Paynabar, F Boukouvala - Computers & Chemical …, 2023 - Elsevier
Abstract In Gaussian Process Regression (GPR), hyperparameters are often estimated by
maximizing the marginal likelihood function. However, this data-dominant hyperparameter …

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, 2022 - pubs.rsc.org
Recent studies have shown that solvated amphiphiles can form nanostructured self-
assemblies called dynamic binary complexes (DBCs) in the presence of ions. Since the …

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… - Colloids and Surfaces A …, 2022 - Elsevier
Hypothesis Supramolecular aqueous complexes of a synthesized zwitterionic surfactant, 2-
(dimethyl (octadecyl) ammonio) acetate (stearyl betaine) and diethylenetriamine, have been …

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, 2024 - Elsevier
Recent advancements in computational modeling have led to the development of hybrid
models, combining Machine Learning's data-driven adaptability with the insights of complex …