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Puja Agarwala
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Year
Fast, faithful simulations of donor–acceptor interface morphology
P Agarwala, ED Gomez, ST Milner
Journal of Chemical Theory and Computation 18 (11), 6932-6939, 2022
72022
Intensification of cellulosic fiber drying through fundamental insights and process modeling
S Mondal, S Dutta, P Agarwala, V Nimbalkar, SS Dhumal
Drying technology 38 (16), 2151-2161, 2020
72020
A simple approach to hopping matrix elements between nearby molecules
S Donaher, P Agarwala, ST Milner
arXiv preprint arXiv:2212.11831, 2022
22022
Predicting mixing free energy using mutual ghosting
S Shetty, P Agarwala, ED Gomez, ST Milner
Molecular Systems Design & Engineering 7 (11), 1529-1537, 2022
22022
Machine Learning Identifies Strong Electronic Contacts in Semiconducting Polymer Melts
P Agarwala, S Donaher, B Ganapathysubramanian, ED Gomez, ST Milner
Macromolecules 56 (15), 5698-5707, 2023
12023
Cellulosic fibre drying: fundamental understanding and process modeling
S Mondal, P Agarwala, S Dutta, V Naik-Nimbalkar, P Pande, S Dhumal
IDS 2018. 21st International Drying Symposium Proceedings, 627-634, 2018
12018
Backbone and Side Group Interchain Correlations Govern Wide-Angle X-ray Scattering of Poly (3-hexylthiophene)
P Agarwala, S Shetty, AM Fenton, B Dursun, ST Milner, ED Gomez
ACS Macro Letters 13 (3), 375-380, 2024
2024
Development of Simulation Techniques to Design Semiconducting Polymers with Enhanced Charge Transport
P Agarwala, ED Gomez, ST Milner
2023 AIChE Annual Meeting, 2023
2023
Predicting χ from Concentration Response to Spatially Varying Potentials
P Agarwala, ED Gomez, ST Milner
Macromolecules 56 (17), 6859-6869, 2023
2023
Predicting semiconducting polymer blend local structures and miscibility with simulations
P Agarwala, E Gomez, S Milner
APS March Meeting Abstracts 2023, G05. 007, 2023
2023
Combined Effect of Thinning and the Presence of Gas Boundary Layer on the Stability of a Thin Liquid Sheet
S Kedia, P Agarwala, M Tirumkudulu
2022 AIChE Annual Meeting, 2022
2022
Predicting Mixing Free Energy for Polymers with Atomistic Simulations
P Agarwala, E Gomez, S Milner
2022 AIChE Annual Meeting, 2022
2022
Machine learning approach to identify critical configurations for strong electronic coupling
P Agarwala, S Donaher, B Ganapathysubramanian, E Gomez, S Milner
Bulletin of the American Physical Society, 2022
2022
Effect of Gas Boundary Layer on the Stability of a Radially Expanding Liquid Sheet
S Kedia, P Agarwala, M Tirumkudulu
APS Division of Fluid Dynamics Meeting Abstracts, P29. 012, 2021
2021
Using virtual sites for coarse-grained simulations of conjugated polymers and organic semiconductors
P Agarwala, E Gomez, S Milner
2021 MRS Fall Meeting & Exhibit, 2021
2021
Predicting excess free energy of mixing for molecular mixtures by inducing phase separation in simulations.
S Shetty, P Agarwala, E Gomez, S Milner
APS March Meeting Abstracts 2021, X04. 007, 2021
2021
Multiscale approach to compute donor-acceptor interchain couplings for realistic interfacial geometries
P Agarwala, S Milner, E Gomez
APS March Meeting Abstracts 2021, L04. 001, 2021
2021
Flocculation of spin bath NMMO solution for removal of colloidal impurities in lyocell process
P Agarwala, P Kanthale, S Thakre
Separation Science and Technology 54 (15), 2516-2527, 2019
2019
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Articles 1–18