Recent Publications
2026
- Das, Megha, Gintaras V. Reklaitis,
and Zoltan K. Nagy., Systematic Digital Framework for Optimizing Changeover
Cleaning in Pharmaceutical Industries,
Cleaner Engineering and Technology, 10, 100234, 2026.
- Kilari H., Akturk I., Csathy A.T.,
Agca M.E., Mathur U., Nagy Z.K., Systematic workflow for crystallization
process design for a polymorphic system: an experimental case study of imatinib
mesylate, CrystEngComm, 28, 812-835, 2026.
2025
- Barhate Y., Kang Y.-S., Nazemifard
N., Renner C.B., Yang Y., Papageorgiou C., Nagy Z.K., Digital design of
crystallization processes using statistical machine learning,
Computers and Chemical Engineering, 206, 109518, 2026.
- Orosz A., Neal M., Rao R., Roberts
C., Szilagyi B., Nagy Z.K., 2D population balance modeling and ML-based
multi-objective optimization for the crystallization process of resveratrol,
AIChE Journal, 71 (12), e70094, 2025.
- Kang Y.-S., Kilari H., Nazemifard N.,
Renner B.C., Yang Y., Papageorgiou C., Nagy Z.K., Iterative Recipe
Development Framework of Model-Free Quality-By-Control and Its Application for
the Rapid Design of a Pharmaceutical Crystallization Process,
Crystal Growth & Design, 25 (21), 9359-9380, 2025.
- Parvaresh R., Nagy Z.K.,
Digital design of an integrated continuous crystallization, wet-milling and
classification system with recycle for purity and crystal size distribution
control, Industrial & Engineering Chemistry Research, 64
(5), 2858-2871, 2025.
- Barhate Y., Laky D.J., Casas-Orozco
D., Reklaitis G.V., Nagy Z.K., Hybrid rule‐based and optimization‐driven
framework for the synthesis of end‐to‐end optimal pharmaceutical processes,
AIChE Journal, 71 (9), e18888, 2025.
- Nyande B.W., Diab S., Yao H.,
Lakerveld R., Nagy Z.K., Crystallization in the presence of impurities:
Mechanisms, models and controls, Chemical Engineering Research &
Design, 221, 525-546, 2025.
- Yuan X., Nagy Z.K., Benyahia
B., A Comprehensive Framework for Model Evaluation and Refinement Using
MBDoE Estimability and Structural identifiability: Application to a
Crystallization Process, Chemical Engineering Journal Advances,
100823, 2025.
- Zhao M., Liu T., Song B., Fan J., Ni
X., Nagy Z.K., Findeisen R., Kinetic modelling and steady-state optimization
of cooling crystallization by continuous oscillatory baffled crystallizer,
Chemical Engineering Journal, 519, 164978, 2025.
- Shahab M., Sixon D., Pierce J.A.,
Yang M., Gonzalez M., Nagy Z.K., Reklaitis G.V., Enhanced ribbon quality in
roller compaction process by mitigating splitting through a machine-learning
framework, International Journal of Pharmaceutics, 678,
126174, 2025.
- Shahab M., Bachawala S., Gonzalez M.,
Nagy Z.K., Reklaitis G.V., A hybrid system for design space estimation in a
rotary tablet press, International Journal of Pharmaceutics,
125663, 2025.
- Song B., Liu T., Zhao M., Cui Y.,
Chen J., Nagy Z.K., Findeisen R., Surrogate Modeling with Sensitivity-Based
Experiment Design and Process Optimization of Seeded Cooling Crystallization: A
Case Study on β-Form LGA, Industrial & Engineering Chemistry
Research, 64 (18), 9272-9286, 2025.
- Ma Y., Li W., Liu J., Shang G., Yang
H., Gong J., Nagy Z.K., Benyahia B., Digital design and optimization of the
integrated synthesis and crystallization process using data‐driven approaches,
AIChE Journal, e18931, 2025.
2024
- Bachawala S., Lagare R., Delaney
A.B., Nagy Z.K., Reklaitis G.V., Gonzalez M., Rational Function-Based
Approach for Integrating Tableting Reduced-Order Models with Upstream Unit
Operations: Dry Granulation Case Study, Pharmaceuticals,
2024.
- Parvaresh R., Nagy Z.K.,
Process Intensification via End-to-End Continuous Manufacturing of Atorvastatin
Calcium Using an Integrated, Modular Reaction-Crystallization-Spherical
Agglomeration-Filtration-Drying Process, Organic Process Research
& Development, 2024.
- Lagare R.B., Gonzalez M., Nagy Z.K.,
Reklaitis G.V., A framework for the practical development of condition
monitoring systems with application to the roller compactor,
Frontiers in Energy Research, 2024.
- Parvaresh R., Ferdoush S., Kshirsagar
S., Gonzalez M., Nagy Z.K., Integrated Continuous Crystallization–-Spherical
Agglomeration (CCSA) Process for the Intensified Manufacturing of Atorvastatin
Calcium, Crystal Growth and Design, 2024.
- Barhate Y., Boyle C., Salami H., Wu
W., Taherimakhsousi N., Rabinowitz C., Bommarius A., Cardona J., Nagy Z.K., Rousseau
R., Grover M., OpenCrystalData: An open-access particle image database to
facilitate learning, experimentation, and development of image analysis models
for crystallization processes, Digital Chemical Engineering,
2024.
- Kumar S., Huang Y.S., Nagy Z.K.,
Reklaitis G.V., Gonzalez M., Mort P., Semicontinuous Blending of
Pharmaceutical Ingredients and the Impact of Process Parameters on the Blending
Performance of an Integrated Feeder Blender Operating Semicontinuously,
Advances in Materials Science and Engineering, 2024.
- Murbach-Oliveira G., Akturk I., Nagy
Z.K., Thompson D., Process Development and Kinetic Analysis in the Green
Synthesis of Lomustine, Organic Process Research & Development,
2024.
- Nyande B., Nagy Z.K., Lakerveld R.,
Data‐driven identification of crystallization kinetics, AIChE
Journal, 2024.
- Wu W., Chappelow C., Hanspal N.,
Larsen P., Patton J., Shinkle A., Nagy Z.K., Digital Design of an
Agrochemical Crystallization Process via Two-Dimensional Population Balance
Modeling Organic Process Research & Development, 2024.
- Huang Y.S., Lagare R., Bailey P.,
Sixon D., Gonzalez M., Nagy Z.K., Reklaitis G.V., Hybrid model development
and nonlinear model predictive control implementation for continuous dry
granulation process Computers & Chemical Engineering, 2024.
- Barhate Y., Kilari H., Wu W.L., Nagy,
Z. K., Population balance model enabled digital design and uncertainty
analysis framework for continuous crystallization of pharmaceuticals using an
automated platform with full recycle and minimal material use,
Chemical Engineering Science, 2024.
- Hur, I., Casas-Orozco, D., Laky, D.,
Destro F., Nagy, Z. K., Digital design of an integrated purification system
for continuous pharmaceutical manufacturing, Chemical Engineering
Science, 2024.
2023
- Sundarkumar, V., Wang, W., Mills, M.,
Sue, O., Nagy, Z. K., Reklaitis, G. V., Developing a modular continuous
drug product manufacturing system with real time quality assurance for producing
pharmaceuticals mini-tablets. Journal of Pharmaceutical Sciences.
2023.
- Sundarkumar, V., Wang, W., Nagy, Z.
K., Reklaitis, G. V., Manufacturing pharmaceutical mini-tablets for
pediatric patients using drop-on-demand printing. International
Journal of Pharmaceuticals. 2023 644, 123355.
- Wu, W., Mills, M., Schacht, U.,
Rabinowitz, C., Vlachos, V., Nagy, Z. K., Sensor Fusion and
Calibration-based Adaptive Image Analysis Procedure for In Situ Crystal Size
Measurement. Crystal Growth and Design. 2023.
- Casas-Orozco, D., Laky, D., Mackey,
J., Reklaitis, G. V., Nagy, Z. K., Reaction kinetics determination and
uncertainty analysis for the synthesis of the cancer drug lomustine.
Chemical Engineering Science. 2023, 118591.
- Kumar S., Nagy, Z. K., Reklaitis
G.V., Gonzalez M., Considerations in Raman Spectroscopy for Real-Time API
Concentration Measurement at Tablet Press Feed Frame. Journal of
Spectroscopy. 2023.
- Kshirsagar, S., Szilagyi, B., Nagy,
Z. K., Experimental Design for the Efficient Determination of the
Crystallization Kinetics of a Polymorphic System in Combined Cooling and
Antisolvent Crystallization. Crystal Growth & Design. 2023.
- Destro, F., Barolo, M., Nagy,
Z.K., Quality-by-control of intensified continuous filtration-drying of
active pharmaceutical ingredients. AIChE Journal. 2023, 69.
- Lagare R.B., Huang, Y.S., Bush, C.,
Young, K., Rosario, A., Gonzalez, M., Mort, P., Nagy, Z.K., Reklaitis, G.V.,
Developing a Virtual Flowability Sensor for Monitoring a Pharmaceutical Dry
Granulation Line, Journal of Pharmaceutical Sciences. 2023,
4987-4996
- Laky, D., Casas-Orozco, D., Abdi, M.,
Feng, X., Wood, E., Reklaitis, G. V., Nagy, Z.K., Using PharmaPy with
Jupyter Notebook to teach digital design in pharmaceutical
manufacturing. Computer Applications in Engineering
Education.2023.
- Kilari, Y., Barhate Y., Kang, Y.S.,
Nagy Z.K., A Systematic Framework for Iterative Model-based Experimental
Design of Batch and Continuous Crystallization Systems. Computer
aided Chemical Engineering. 2023, 52, 1501-1506.
- Huang Y.S., Sixon, D., Bailey P.,
Lagare, R. B., Gonzelez M., Nagy Z.K., Reklaitis G.V., A Machine
Learning-assisted Hybrid Model to Predict Ribbon Solid Fraction, Granule Size
Distribution and Throughput in a Dry Granulation Process. Computer
aided Chemical Engineering. 2023, 52, 813-830.
- Hur, I., Casas-Orozco, D., Reklaitis,
G.V., Nagy, Z.K., Moisture and Throughput Control in an Integrated
Pharmacuetical Purification Platform using PharmaPy. Computer Aided
Chemical Engineering. 2023, 52, 1169-1174.
- Casas-Orozco, D., Mackey, J., Akturk,
I., Reklaitis, G.V., Nagy, Z.K., Extended Multiple-Cruve Resolution
Framework for the calibration of first-principles models. Computer
Aided Chemical Engineering. 2023, 52, 1439-1444.
- Sundarkumar V., Wang W., Nagy, Z.K.,
Reklaitis, G.V., Innovative process for manufacturing pharmaceutical
mini-tablets using 3D printing. Computer Aided Chemical
Engineering. 2023, 52, 1945-1950.
- Lagare R.B., Gonzalez, M., Nagy, Z.K.,
Reklaitis, G.V., Modular Development of Condition Monitoring Systems for
the Tennessee Eastman Process. Computer Aided Chemical
Engineering. 2023, 52, 1579-1584.
- Casas-Orozco, D., Laky, D., Wang, V.,
Abdi, M., Feng, X., Wood, E., Reklaitis, G. V., Nagy, Z.K., Techno-economic
analysis of dynamic, end-to-end optimal pharmaceutical campaign manufacturing
using PharmaPy. AIChE Journal.2023, e18142.
- Mackey, J., Grover, D., Pruneda, G.,
Zenk, E., Nagy, Z.K., Continuous extraction of 2-chloroethyl isocyanate for
1-(2-chloroethyl)-3-cyclohexylurea purification. Chemical
Engineering and Processing-Process Intensification.2023, 183. 109225.
2022
- Sundarkumar, V., Nagy, Z.K.,
Reklaitis, G. V. Machine learning enabled integrated formulation and process
design framework for a pharmaceutical 3D printing platform. AIChE
Journal. 2022, e17990.
- Kshirsagar, S., Susarla, N.,
Ramakrishnan, S., Nagy, Z.K., Process intensification of atorvastatin
calcium crystallization for target polymorph development via continuous combined
cooling and antisolvent crystallization using an oscillatory baffled
crystallizer. International Journal of Pharmaceutics. 2022,
627. 122172.
- Laky, D., Casas-Orozco, D., Laird,
C., Reklaitis, G.V., Nagy, Z.K., Optimization Framework for the Digital
Design of Pharmaceutical Processes Using Pyomo and PharmaPy.
Industrial & Engineering Chemistry Research. 2022, 61. 16128-16140.
- Majumder A, Nagy Z.K., Ni X.W.
Recent advances in continuous crystallization. Chemical
Engineering Research and Design 2022, 180,610-613.
- Wu, W.L., Chappelow, C., Hanspal, N.,
Larsen, P., Patton, J., Shinkle, A., Nagy, Z.K., Implementation and
Application of Image Analysis-Based Turbidity Direct Nucleation Control for
Rapid Agrochemical Crystallization Process Design and Scale-Up.
Industrial & Engineering Chemistry Research. 2022, 61. 14561-14572.
- Szilagyi B.,Eren A.,Quon JL.
Papageorgiou CD.,Nagy Z.K.,Monitoring and digital design of the cooling
crystallization of a high-aspect ratio anticancer drug using a two-dimensional
population balance model. Chemical Engineering Science. 2022,
257, 117700.
- Darmali C, Liu YC, Mansouri S,
Yazdanpanah N, Nagy Z.K., Woo MW, Strategy for non-seeded crystallization of
slow-to-crystallize compounds with an Oscillatory Dynamic Baffled Crystallizer:
A case study with alpha Lactose Monohydrate. Organic Process
Research and Development. 2022, 26(8), 2364-2376.
- Sundarkumar V,Nagy Z.K.,Reklaitis
GV., Small-scale continuous drug product manufacturing using dropwise
additive manufacturing and three phase settling for integration with upstream
drug susbstance production. Journal of Pharmaceutical
Sciences. 2022, 111(8), 2330-2340.
- Destro F.,Nagy Z.K.,Barolo M.,
A benchmark simulator for quality-by-design and quality-by-control studies
in continuous pharmaceutical manufacturing‒Intensified filtration-drying of
crystallization slurries. Computers and Chemical Engineering.
2022, 163,107809.
- Laky, D., Casas-Orozco, D., Destro
F., Barolo M., Reklaitis, G.V., Nagy, Z.K.,Integrated synthesis,
crystallization, filtration, and drying of active pharmaceutical ingredients: a
model-based digital design framework for process optimization and
control. Optimization of Pharmaceutical Processes. 2022,
253-287.
- Lagare R.B., Conceicao M., Rosario
A.C.A., Young K., Huang Y., Sheriff Z., Clementson C., Mort P., Nagy Z.K., Reklaitis
G.V., Development of a Virtual Sensor for Real-Time Prediction of Granule
Flow Properties. Computer aided Chemical Engineering. 2022,
1081-1-1086.
- Sheriff M.Z., Huang Y.S., Bachawal
S., Gonzelez M., Nagy Z.K., Reklaitis G.V., A Hierarchical Approach to
Monitoring Control Performance and Plant-Model Mismatch. Computer
aided Chemical Engineering. 2022, 1087-1092.
- Laky D., Casas-Orozco, D., Rossi F.,
Mackey J., Reklaitis G.V., Nagy Z.K., Determination of probabilistic design
spaces in the hybrid manufacture of an active pharmaceutical ingredient using
PharmaPy. Computer aided Chemical Engineering. 2022,
2131-2136.
- Huang Y.S., Sheriff M.Z., Bachawal
S., Gonzelez M., Nagy Z.K., Reklaitis G.V., Application of MHE-based NMPC on
a Rotary Tablet Press under Plant-Model Mismatch. Computer aided
Chemical Engineering. 2022, 2149-2154.
- Destro F., Barolo M., Nagy Z.K.,
Model-based monitoring of an intensified unit for continuous pharmaceutical
filtration-drying. Computer aided Chemical Engineering. 2022,
1405-1410.
- Lagare R.B., Sheriff M.Z., Gonzalez
M., Nagy Z.K., Reklaitis G.V., A Comprehensive Framework for the Modular
Development of Condition Monitoring Systems for a Continuous Dry Granulation
Line. Computer aided Chemical Engineering. 2022, 1543-1548.
- Kang Y.S., Ward J.D., Nagy Z.K.,
A new framework and a hybrid method for one-dimensional population balance
modeling of batch thermocycling crystallization. Computer aided
Chemical Engineering. 2022, 107588.
- Huang Y.S., Gonzalez S., Straiton B.,
Kellar J., Marashdeh Q., Gonzelez M., Nagy Z.K., Reklaitis G.V., Real-Time
Monitoring of Powder Mass Flowrates for Plant-Wide Control of a Continuous
Direct Compaction Tablet Manufacturing Process. Journal of
Pharmaceutical Sciences. 2022, 69-81.
Patents
- Methods and systems for
depositing active ingredients on substrates, AV Giridhar, M Harris, GV
Rekliatis, LS Taylor, ZK Nagy, E Icten, F Fiesser, Laura Hirshfield, US Patent
11,547,675
- Methods for controlling
crystallization based on turbidity and systems therefor, ZK Nagy, Wu
Wei-Lee, US Patent 17/523,127
- Spherical agglomeration of
proteins, ZK Nagy, Oliva JA., Pal K., US Patent 17/283,980
- Systems with anti-fouling
control and methods for controlling fouling within a channel of a plug flow
crystallizer, Koswara A., Nagy ZK., US Patent 10,766,014
- Systems and methods for
producing a chemical product, Koswara A., Nagy ZK., Parks CD., US
Patent 10,751,685
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