CV

Prem K. Reddy
Postdoctoral Associate in Chemical Engineering, MIT
Cambridge, MA
Email: pprmrdy@gmail.com

Summary

I work at the intersection of crystallization science, molecular modeling, and materials synthesis. My research combines molecular dynamics, kinetic and population balance modeling, DFT-supported analysis, and experiment, including in-situ GIWAXS, SAXS, EXAFS, wet milling, and materials synthesis.

Education

Postdoctoral Associate, Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA, USA, January 2026 to Present
- PI: Prof. Allan Myerson
Ph.D., Chemical Engineering, University of Illinois Chicago, Chicago, IL, USA, August 2020 to December 2025
- PI: Prof. Meenesh Singh
M.Tech., Chemical Engineering, Indian Institute of Technology Madras, Chennai, TN, India, August 2017 to May 2019
- PI: Prof. S. Pushpavanam
B.Tech., Chemical Engineering, Jawaharlal Nehru Technological University, Andhra Pradesh, India, August 2012 to May 2016

Research and Professional Experience

Postdoctoral Associate, Massachusetts Institute of Technology, January 2026 to Present
- Research in chemical engineering with a focus on crystallization, molecular modeling, and materials synthesis.
Doctoral Researcher, University of Illinois Chicago, August 2020 to December 2025
- Investigated antisolvent crystallization using molecular dynamics simulations in GROMACS, MATLAB, Python, and shell workflows for parallel computing.
- Developed microkinetic and mechanism-based models for MOF and COF crystallization using in-situ GIWAXS, EXAFS, PyFAI, Python, Demeter, MATLAB, and materials synthesis.
- Derived analytical solutions for breakage population balance equations and validated predictions with wet-milling experiments and particle-size analysis.
Experiential Summer Intern, Process Engineering, AbbVie, May 2023 to August 2023
- Worked on theoretical modeling of wet-milling experimental data from lab to plant scale.
Junior Research Fellow, Indian Institute of Technology Madras, May 2019 to April 2020
- Developed electrochemical and paper-based lab-on-chip devices for on-the-spot detection of fluoroquinolone antibiotics.

Teaching Experience

Teaching Assistant, University of Illinois Chicago

Teaching Assistant, Indian Institute of Technology Madras

Research Highlights

Molecular insights into antisolvent crystallization
- Performed molecular dynamics simulations of histidine in aqueous-ethanol systems and identified a three-step crystallization mechanism involving competitive binding and dewetting.
Kinetics and mechanisms in MOF and COF crystallization
- Built microkinetic models for UiO-66 thin-film growth and integrated in-situ GIWAXS data to explain structural evolution during synthesis.
- Extended the framework to COF-5 synthesis and multi-metallic MOFs, including EXAFS analysis supported by DFT-derived structures.
- Ongoing work includes understanding amorphous-to-crystalline MOF transformation using in-situ SAXS.
Population balance modeling for particle fragmentation
- Derived analytical solutions to breakage PBM equations and connected the theory to wet-milling experiments and particle-size analysis.
Lab-on-chip and electrochemical detection
- Designed paper-based and electrochemical platforms for antibiotic detection using HPLC, UV-Vis, potentiostat measurements, and design of experiments.

Technical Skills

Modeling and computation
- Molecular dynamics, microkinetic modeling, population balance modeling, DFT-supported analysis, MATLAB, Python, shell scripting
Experimental methods
- In-situ GIWAXS, SAXS, EXAFS, wet milling, material synthesis, particle-size analysis, HPLC, UV-Vis, electrochemical measurements
Software and tools
- GROMACS, PyFAI, Demeter, Aspen Plus, MATLAB, Minitab, Adobe Illustrator

Awards and Achievements

2024: Provost Visiting Scholar Award, University of Illinois Chicago
2024: Award for Graduate Research, University of Illinois Chicago
2024: Graduate Student Council Travel Award, University of Illinois Chicago
2024: Image of Research Competition, 2nd Prize, University of Illinois Chicago
2023: Excellence Award, AbbVie
2018: Lean Six Sigma Green Belt

Publications

Toward Dynamic Crystal Structure Prediction: Integrating Thermodynamic and Kinetic Modeling

Prem K. Reddy, Anish V. Dighe, Rajan R. Bhawnani, and Meenesh R. Singh. (2026). "Toward Dynamic Crystal Structure Prediction: Integrating Thermodynamic and Kinetic Modeling." CrystEngComm 28(11): 1727-1751.

EXAFS-Resolved Node Asymmetry Links Local Distortions to Lattice Structure in High-Entropy MOFs

Prem K. Reddy, Rajan R. Bhawnani, Meagan Phister, Ankit Dhakal, Michael L. Barsoum, Naveen Dandu, Orlando Mendible Barreto, et al. (2026). "EXAFS-Resolved Node Asymmetry Links Local Distortions to Lattice Structure in High-Entropy MOFs." ChemRxiv.

Amorphous to Crystalline Transformation of UiO-66: A SAXS and Microkinetic Study

Prem K. Reddy, Gaurav Giri, and Meenesh R. Singh. (2026). "Amorphous to Crystalline Transformation of UiO-66: A SAXS and Microkinetic Study." In preparation.

Sequential Addition of Metals and the Effect on Cluster Structure for Multi-Metallic MOFs: An EXAFS and DFT Study

Prem K. Reddy, Rajan R. Bhawnani, Frank Bridges, Gaurav Giri, and Meenesh R. Singh. (2026). "Sequential Addition of Metals and the Effect on Cluster Structure for Multi-Metallic MOFs: An EXAFS and DFT Study." Under review at JACS.

Unraveling the Mechanism of Oiling-Out Crystallization

Prem K. Reddy and Meenesh R. Singh. (2026). "Unraveling the Mechanism of Oiling-Out Crystallization." Under review at Physical Chemistry Chemical Physics.

High-Throughput Screening of Geopolymerization Kinetics for Rapid Mixture Design Optimization

Yadavalli, Venkata S. S. R. P., Rohit Chauhan, Prem K. Reddy, Vamsi Vikram Gande, Rajan R. Bhawnani, Robert P. Anex, Bu Wang, and Meenesh R. Singh. (2026). "High-Throughput Screening of Geopolymerization Kinetics for Rapid Mixture Design Optimization." Industrial & Engineering Chemistry Research 65(11): 6021-6029.

Mechanistic Insights into Metal-Organic Framework Thin Film Growth from Microkinetic Analysis of in Situ X-Ray Scattering Data

Prem K. Reddy, Prince Verma, Ankit Dhakal, Rajan R. Bhawnani, Meagan Phister, Anish V. Dighe, Kevin H. Stone, Gaurav Giri, and Meenesh R. Singh. (2026). "Mechanistic Insights into Metal-Organic Framework Thin Film Growth from Microkinetic Analysis of in Situ X-Ray Scattering Data." Matter 9(1).

Next-Generation Computational and Experimental Tools for Understanding Nucleation and Growth of Metal-Organic Frameworks

Rajan R. Bhawnani, Orlando M. Barreto, Prem K. Reddy, Yamil Colon, and Meenesh R. Singh. (2025). "Next-Generation Computational and Experimental Tools for Understanding Nucleation and Growth of Metal-Organic Frameworks." ACS Materials Letters 7(3): 906-927.

Dynamic Structural and Morphological Transformations in High-Entropy Metal-Organic Frameworks

Rajan R. Bhawnani, Michael L. Barsoum, Ankit Dhakal, Vamsi V. Gande, Roshan Y. Nemade, Prem K. Reddy, Roberto dos Reis, et al. (2025). "Dynamic Structural and Morphological Transformations in High-Entropy Metal-Organic Frameworks." Materials Today Chemistry 49: 103009.

Analytical Solution to the Discretized Population Balance Equation for Pure Breakage with Application to Kernel Identification

Prem K. Reddy, Vamsi Vikram Gande, Raghavendra Hari, Akshay Korde, Sharad Maheshwari, Nandkishor K. Nere, and Meenesh R. Singh. (2025). "Analytical Solution to the Discretized Population Balance Equation for Pure Breakage with Application to Kernel Identification." Chemical Engineering Research and Design 217: 295-303.

Sequential Hydrolysis of Metal Oxo Clusters Drives Polymorphism in Electrodeposited Zirconium Metal-Organic Frameworks

Rajan R. Bhawnani, Naveen K. Dandu, Prem K. Reddy, Anh T. Ngo, and Meenesh R. Singh. (2024). "Sequential Hydrolysis of Metal Oxo Clusters Drives Polymorphism in Electrodeposited Zirconium Metal-Organic Frameworks." Chemistry of Materials.

Engineering Advancements in Microfluidic Systems for Enhanced Mixing at Low Reynolds Numbers

Vamsi Vikram Gande, Prem K. Reddy, Bianca Berry, Nandkishor K. Nere, S. Pushpavanam, and Meenesh R. Singh. (2024). "Engineering Advancements in Microfluidic Systems for Enhanced Mixing at Low Reynolds Numbers." Biomicrofluidics 18(1).

Group Contribution Method for Rapid Estimation of Crystal Growth Rates

Anish V. Dighe, Prem K. Reddy, Vamsi Vikram Gande, Urmila Diwekar, and Meenesh R. Singh. (2024). "Group Contribution Method for Rapid Estimation of Crystal Growth Rates." Chemical Engineering Research and Design 203: 140-148.

Emulsification of Supersaturated Solutions Amplifies Induction Time Variation in Crystallization

Anish V. Dighe, Prem K. Reddy, and Meenesh R. Singh. (2023). "Emulsification of Supersaturated Solutions Amplifies Induction Time Variation in Crystallization." Crystal Growth & Design 23(9): 6290-6297.

Microkinetic Insights into the Role of Catalyst and Water Activity on the Nucleation, Growth, and Dissolution During COF-5 Synthesis

Anish V. Dighe, Rajan R. Bhawnani, Prem K. Reddy, Naveen K. Dandu, Anh T. Ngo, Santanu Chaudhuri, and Meenesh R. Singh. (2023). "Microkinetic Insights into the Role of Catalyst and Water Activity on the Nucleation, Growth, and Dissolution During COF-5 Synthesis." Nanoscale 15(21): 9329-9338.

A Microkinetic Model for Understanding the Synthesis of Thin Film Metal Organic Framework Using Solution Shearing Based Evaporative Crystallization

November 01, 2022

Conference presentation at AIChE Annual Meeting 2022, Phoenix, Arizona, USA

Molecular Simulations Unravel the Dynamics of Oiling Out of beta-Alanine

November 01, 2021

Conference presentation at AIChE Annual Meeting 2021, Boston, Massachusetts, USA

Hydrogen Energy - A Review

January 01, 2016

Conference presentation at ISRO and IIChE Convention 2016, Nellore, Andhra Pradesh, India

Prem K. Reddy

CV