Publications
Journal Articles
Toward Dynamic Crystal Structure Prediction: Integrating Thermodynamic and Kinetic Modeling
Published in CrystEngComm, 2026
A framework for combining thermodynamic and kinetic ideas to move crystal structure prediction toward dynamic process-aware modeling.
Recommended citation: 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.
High-Throughput Screening of Geopolymerization Kinetics for Rapid Mixture Design Optimization
Published in Industrial & Engineering Chemistry Research, 2026
A co-authored paper on high-throughput screening methods for geopolymerization kinetics and rapid mixture optimization.
Recommended citation: 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
Published in Matter, 2026
A microkinetic interpretation of in-situ X-ray scattering data to explain nucleation and growth in MOF thin films.
Recommended citation: 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
Published in ACS Materials Letters, 2025
A perspective on emerging computational and experimental tools for studying nucleation and growth in MOFs.
Recommended citation: 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
Published in Materials Today Chemistry, 2025
A co-authored study of structural and morphological evolution in high-entropy MOFs.
Recommended citation: 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
Published in Chemical Engineering Research and Design, 2025
An analytical treatment of discretized population balance equations for pure breakage, paired with kernel identification and experimental validation.
Recommended citation: 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
Published in Chemistry of Materials, 2024
A study of how sequential hydrolysis of metal-oxo clusters drives polymorphism in electrodeposited zirconium MOFs.
Recommended citation: 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
Published in Biomicrofluidics, 2024
A review-oriented co-authored paper on microfluidic design strategies for improved low-Reynolds-number mixing.
Recommended citation: 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
Published in Chemical Engineering Research and Design, 2024
A co-authored method for rapid estimation of crystal growth rates using group contribution ideas.
Recommended citation: 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
Published in Crystal Growth & Design, 2023
A co-authored paper on how emulsification broadens induction time distributions in crystallization.
Recommended citation: 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
Published in Nanoscale, 2023
A mechanistic study of catalyst and water effects on COF-5 nucleation, growth, and dissolution.
Recommended citation: 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.
Percolation-Assisted Coating of Metal-Organic Frameworks on Porous Substrates
Published in Journal of Membrane Science, 2023
A co-authored paper on coating metal-organic frameworks onto porous substrates through percolation-assisted growth.
Recommended citation: Rajan R. Bhawnani, Rohan Sartape, Aditya Prajapati, Prem K. Reddy, Paria Coliaie, Arnav N. Nere, and Meenesh R. Singh. (2023). "Percolation-Assisted Coating of Metal-Organic Frameworks on Porous Substrates." Journal of Membrane Science 668: 121202.
Three-Step Mechanism of Antisolvent Crystallization
Published in Crystal Growth & Design, 2022
A molecular-level study of solvation, desolvation, and the multi-step pathway underlying antisolvent crystallization.
Recommended citation: Prem K. Reddy, Anish V. Dighe, Paria Coliaie, and Meenesh R. Singh. (2022). "Three-Step Mechanism of Antisolvent Crystallization." Crystal Growth & Design 22(5): 3119-3127.
Selective Desolvation in Two-Step Nucleation Mechanism Steers Crystal Structure Formation
Published in Nanoscale, 2022
A co-authored study showing how selective desolvation influences crystal structure selection during two-step nucleation.
Recommended citation: Anish V. Dighe, Paria Coliaie, Prem K. Reddy, and Meenesh R. Singh. (2022). "Selective Desolvation in Two-Step Nucleation Mechanism Steers Crystal Structure Formation." Nanoscale 14(5): 1723-1732.
Preprints
EXAFS-Resolved Node Asymmetry Links Local Distortions to Lattice Structure in High-Entropy MOFs
Published in ChemRxiv, 2026
A study connecting local coordination asymmetry from EXAFS to lattice-level structure in high-entropy MOFs.
Recommended citation: 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.
Under Review / In Preparation
Amorphous to Crystalline Transformation of UiO-66: A SAXS and Microkinetic Study
Published in In preparation, 2026
In preparation: a SAXS and microkinetic study of the amorphous-to-crystalline transformation of UiO-66.
Recommended citation: 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
Published in JACS (under review), 2026
Under review: an EXAFS and DFT study of how sequential metal addition changes cluster structure in multi-metallic MOFs.
Recommended citation: 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
Published in Physical Chemistry Chemical Physics (under review), 2026
Under review: a study of the mechanism of oiling-out crystallization.
Recommended citation: Prem K. Reddy and Meenesh R. Singh. (2026). "Unraveling the Mechanism of Oiling-Out Crystallization." Under review at Physical Chemistry Chemical Physics.