Prathamesh Deshpande

Postdoctoral Researcher at San Jose State University Research Foundation

Research Expertise

Molecular Dynamics
Process Modeling
Computational Mechanics
Multiscale Modeling
FEM
Polymers and Plastics
Materials Chemistry
Organic Chemistry
Inorganic Chemistry
Ceramics and Composites
Mechanics of Materials
Computational Mathematics
Process Chemistry and Technology
Spectroscopy
Condensed Matter Physics
Electrochemistry
Surfaces and Interfaces
Mechanical Engineering

About

With a Ph.D. in Mechanical Engineering from Michigan Technological University, I am a Postdoctoral Researcher at San José State University Research Foundation, where I work on a multidisciplinary project to discover high-performance structures using quantum dot nanocomposites. This project, funded by the National Science Foundation, combines molecular dynamics, machine learning, and data-driven methods to explore the mechanical behavior of novel materials at different scales. My research interests and skills include material design, polymer composites, micro-mechanics, solid mechanics, stress analysis, finite element analysis, optimization, and geometric modeling. I have extensive experience in using molecular dynamics simulations to investigate the interfacial properties of carbon-reinforced composites and developing machine learning models to efficiently map interfacial configurations to interfacial strength. I have also worked on developing an integrated computational materials engineering framework to predict the thermo-mechanical properties of polymer matrix composites using nanoscale results. I have published multiple papers in peer-reviewed journals and conferences and received an outstanding graduate student teaching award for my role as a lab instructor for a finite element methods course. I am passionate about advancing the knowledge and innovation in the field of computational mechanics and materials design and collaborating with researchers and industry partners to solve challenging engineering problems.

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Publications

A machine learning framework for predicting the shear strength of carbon nanotube-polymer interfaces based on molecular dynamics simulation data
Composites Science and Technology
2021
Molecular Dynamics Modeling of Epoxy Resins Using the Reactive Interface Force Field
Macromolecules
2021
Interfacial characteristics between flattened CNT stacks and polyimides: A molecular dynamics study
Computational Materials Science
2020
Reactive Molecular Dynamics Simulation of Epoxy for the Full Cross-Linking Process
ACS Applied Polymer Materials
2021
Understanding the Origin of the Low Cure Shrinkage of Polybenzoxazine Resin by Computational Simulation
ACS Applied Polymer Materials
2021
Prediction of the Interfacial Properties of High-Performance Polymers and Flattened CNT-Reinforced Composites Using Molecular Dynamics
Langmuir
2021
Multiscale Modeling for Virtual Manufacturing of Thermoset Composites
AIAA Scitech 2020 Forum
2020
Multi-scale Approach to Predict Cure-Induced Residual Stresses in an Epoxy System
American Society for Composites 2020
2020
Multiscale Modelling of the Cure Process in Thermoset Polymers Using ICME
American Society for Composites 2020
2020
Accurate predictions of thermoset resin glass transition temperatures from all-atom molecular dynamics simulation
Soft Matter
2022
Prediction of Residual Stress Build-up in Polymer Matrix Composite During Cure using a Two-scale Approach
American Society for Composites 2019
2019
A Multi-scale Approach for Modelling the Cure of Thermoset Polymers within ICME
American Society for Composites 2019
2019
STRUCTURAL ANALYSIS OF INTEGRATION OF A NON-CYLINDRICAL CNG FUEL TANK
Unknown Venue
Influence of stoichiometry on thermo-mechanical properties of DGEBF/DETDA epoxy
AIAA SCITECH 2022 Forum
2022
Mechanical response of polymer/BN composites investigated by molecular dynamics method
Journal of Materials Research
2022
PREDICTION OF PEEK RESIN PROPERTIES FOR PROCESSING MODELING USING MOLECULAR DYNAMICS
American Society for Composites 2021
2021
PROCESS MODELLING THE CURE OF BISPHENOL-A EPOXY/JEFFAMINE SYSTEM USING ICME
American Society for Composites 2021
2021
Molecular Modeling of PEEK Resins for Prediction of Properties in Process Modeling
Earth and Space 2021
2021
Using Finite Element Methods to Calculate the Deflection of an Orifice Plate Subject to Uniform Pressure Distribution
2016 ASEE Annual Conference & Exposition Proceedings
A MULTISCALE APPROACH TO INVESTIGATE THE EFFECT OF TEMPERATURE AND CRYSTALLINITY ON THE DEVELOPMENT OF RESIDUAL STRESSES IN SEMICRYSTALLINE PEEK
American Society for Composites 2022
2022
Multiscale Process Modeling of Semicrystalline PEEK for Tailored Thermomechanical Properties
ACS Applied Engineering Materials
2023
Multiscale Process Modeling of a Carbon Fiber/Epoxy Composite for Predicting Residual Stress and Strength
Unknown Venue
2023
MOLECULAR DYNAMICS MODELING OF PEEK RESIN PROPERTIES FOR PROCESSING MODELING
American Society for Composites 2023
2023
EFFECT OF GRAPHENE QUANTUM DOTS ON THE MECHANICAL PROPERTIES OF BISPHENOL F-BASED EPOXY
American Society for Composites 2023
2023
DESIGNING AN IMPROVED INTERFACE IN GRAPHENE/POLYMER COMPOSITES THROUGH MACHINE LEARNING
American Society for Composites 2022
2022
MOLECULAR MODELING OF HIGH-PERFORMANCE THERMOSET POLYMER MATRIX COMPOSITES FOR AEROSPACE APPLICATIONS
Unknown Venue
EFFECTS OF STOICHIOMETRY ON PROPERTIES OF DGEBF/DETDA EPOXY USING MOLECULAR DYNAMICS
American Society for Composites 2021
2021
MECHANICAL PROPERTIES PREDICTION OF PHENOLIC RESIN: A MOLECULAR DYNAMICS STUDY
American Society for Composites 2021
2021
MOLECULAR DYNAMICS SIMULATIONS OF FURAN RESIN (POLYFURFURYL ALCOHOL): PREDICTING MECHANICAL PROPERTIES
American Society for Composites 2021
2021
Molecular Dynamics Study of Interfacial Properties in Flattened Carbon Nanotubes and Polymer Composites
American Society for Composites 2020
2020
Mechanical Behavior of Graphene Quantum Dot Epoxy Nanocomposites: A Molecular Dynamics Study
Unknown Venue
2023
Simulation Data for Engineering Graphene Quantum Dot Epoxy Nanocomposites Using Molecular Dynamics
Unknown Venue
2023

Education

Michigan Technological University

Ph.D., Mechanical Engineering-Engineering Mechanics / August, 2022

Houghton, Michigan, United States of America

Michigan Technological University

MS, Mechanical Engineering / August, 2015

Houghton, Michigan, United States of America

University of Pune

BS, Mechanical Engineering / May, 2013

Pune

Experience

San Jose State University Research Foundation

Postdoctoral Research Association / September, 2022Present

• Setup molecular dynamics or MD software packages to perform atomistic simulation on Department HPC. Understood and implemented software compilation techniques to utilize GPU acceleration for efficient simulation methods. • Project #1: Engineered a GQD and epoxy nanocomposite and investigated the mechanical response in tension using MD. Extended this workflow to an amine functionalized GQD which illustrated a 6% increase in stiffness and 17% increase in strength of the nanocomposite. The nanocomposite was investigated for free volume and GQD orientations to understand the role of the GQD n the improved properties of the material. Current work involves modeling different functionalization chemistries on the GQD and the impact on the epoxy nanocomposite. In future, the observations from this work can be leveraged to design optimal GQD filled polymer composites. • Prepared tutorials and case studies to develop future work force.

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