Publications

Enhancing the mechanical properties of epoxy with graphene quantum dots: a molecular dynamics study.

S. S. Bamane, P. P. Deshpande, F. Erogbogb, O. Keles

RSC Applied Polymers • 2026 • Published

Optimizing Epoxy Nanocomposites with Oxidized Graphene Quantum Dots for Superior Mechanical Performance: A Molecular Dynamics Approach.

P. P. Deshpande, R. Chan-Jobe, J. Kemppainen, G. M. Odegard, O. Keles

ACS Omega • 2025 • Published

Evolution of Physical, Thermal, and Mechanical Properties of Poly (methyl Methacrylate)-Based Elium Thermoplastic Polymer During Polymerization.

S. S. Bamane, P. P. Deshpande, S. U. Patil, M. Maiaru, G. M. Odegard

The Journal of Physical Chemistry C • 2024 • Published

Mechanical behavior of graphene quantum dot epoxy nanocomposites: A molecular dynamics study.

O. Keles, P. P. Deshpande

Materials Letters • 2024 • Published

Molecular Structure Data and Modelling Roadmap for Optimized Oxidized Graphene Quantum Dot and Epoxy Interface and Mechanical Properties.

P. P. Deshpande, R. Chan-Jobe, O. Keles

Data in Brief • 2024 • Published

Simulation Data for Engineering Graphene Quantum Dot Epoxy Nanocomposites using Molecular Dynamics.

P. P. Deshpande, O. Keles

Data in Brief • 2024 • Published

Multiscale Process Modeling of Semicrystalline PEEK for Tailored Thermomechanical Properties.

K. Kashmari, H. Al Mahmud, S. U. Patil, W. A. Pisani, P. P. Deshpande, m. Maiaru, G. M. Odegard

ACS Applied Engineering Materials • 2023 • Published

Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation.

G. M. Odegard, S. U. Patil, P. S. Gaikwad, P. P. Deshpande, A. S. Krieg, S. P. Shah, A. Reyes, T. Dickens, J. A. King, M. Maiaru

Soft Matter • 2022 • Published

Mechanical response of polymer/BN composites investigated by molecular dynamics method.

G. Sachdeva, S. U. Patil, S. S. Bamane, P. P. Deshpande, W. A. Pisani, G. M. Odegard, R. Pandey

Journal of Materials Research • 2022 • Published

A machine learning framework for predicting the shear strength of carbon nanotube-polymer interfaces based on molecular dynamics simulation data.

A. Rahman, P. P. Deshpande, M. S. Radue, G. M. Odegard, Gowtham S., S. Ghosh, A. D. Spear

Composites Science and Technology • 2021 • Published

Molecular Dynamics Modeling of Epoxy Resins Using the Reactive Interface Force Field.

G. M. Odegard, S. U. Patil, P. P. Deshpande, K. Kanhaiya, J. J. Winetrout, H. Heinz, S. P. Shah, M. Maiaru

Macromolecules • 2021 • Published

Prediction of Interfacial Properties of High-Performance Polymers and Flattened CNT-Reinforced Composites using Molecular Dynamics.

P. P. Deshpande, M. S. Radue, P. S. Gaikwad, S. S. Bamane, S. U. Patil, W. A. Pisani, G. M. Odegard

Langmuir • 2021 • Published

Reactive Molecular Dynamics Simulation of Epoxy for Full Cross-Linking Process.

S. U. Patil, S. P. Shah, M. Olaya, P. P. Deshpande, M. Maiaru, G. M. Odegard

ACS Applied Polymer Materials • 2021 • Published

Understanding the Origin of the Low Cure Shrinkage of Polybenzoxazine Resin by Computational Simulation.

P. S. Gaikwad, A. S. Kreig, P. P. Deshpande, S. U. Patil, J. A. King, M. Maiaru, G. M. Odegard

ACS Applied Polymer Materials • 2021 • Published

Interfacial characteristics between flattened CNT stacks and polyimides: A molecular dynamics study.

S. U. Patil, M. S. Radue, W. A. Pisani, P. P. Deshpande, X. Hao, H. Al Mahmud, T. Dumitrică, G. M. Odegard

Computational Materials Science • 2020 • Published

Investigating Effects of Oxidation of Graphene Quantum-dot in Epoxy Composites – A Molecular Dynamics study.

P. P. Deshpande, O. Keles

American Society of Composites – 39th Technical Conference, October 2024 • 2026 • Published

Effect of Graphene Quantum Dots on the Mechanical Properties of Bisphenol F-Based Epoxy.

P. P. Deshpande, O. Keles

American Society of Composites – 38th Technical Conference, September 2023 • 2023 • Published

Designing an Improved Interface in Graphene/Polymer Composites Through Machine Learning.

P.P. Deshpande, K.J. DeMille, A. Rahman, S. Ghosh, A. D. Spear., G. M. Odegard

American Society of Composites – 37th Technical Conference, September 2022 • 2022 • Published

Process Modeling of Cure in Epoxy Based Polymer Matrix Composites Using ICME.

P. P. Deshpande, S. P. Shah, S. U. Patil, M. Olaya, G. M. Odegard, M. Maiaru

TMS – 6th World Congress on Integrated Computational Materials Engineering, April 2022 • 2022 • Presented (Poster)

Process Modeling the cure of bisphenol-A Epoxy/Jeffamine system using ICME.

P.P. Deshpande, S. P. Shah, S. U. Patil, M. Olaya, G. M. Odegard, M. Maiaru

American Society of Composites – 36th Technical Conference, September 2021 • 2021 • Published

Multiscale Modelling of the cure process in thermoset polymers using ICME.

P.P. Deshpande, S. P. Shah, S. U. Patil, K. Kashmari, M. Olaya, G. M. Odegard, M. Maiaru

American Society of Composites – 35th Technical Conference, September 2020 • 2020 • Published

Process Modeling of Cure in Epoxy Based Polymer Matrix Composites Using ICME.

P. P. Deshpande, S. P. Shah, S. U. Patil, K. Kashmari, M. Olaya, G. M. Odegard, M. Maiaru

2020 SES Virtual Conference. September 2020 • 2020 • Presented

A multi-scale approach for modelling the cure of thermoset polymers within ICME.

P.P. Deshpande, S. P. Shah, S. U. Patil, K. Kashmari, G. M. Odegard, M. Maiaru

American Society of Composites – 34th Technical Conference, September 2019 • 2019 • Published