Project Description
Development of new methods for crystallization process modeling and application of simulational tools to design and optimize crystallization processes.
Experience
- Development of PyPINNChem, an open-source tool for Physics-Informed Neural Networks-based for chemical reactions simulator (2023)
- Development of a ‘Short-cut’ method for crystallization scale-up processes (2023)
- Design-space determination for industrial-scale pharmaceutical crystallization (2022)
- Population Balance modeling for diastereomeric salt crystallization (2021)
- Proof-of-concept research on novel antisolvent crystallization instrument (2020)
Publications and Presentations
Journal Publications
Bosits, M. H., Orosz, Á.,Szalay, Z., Pataki, H., Szilágyi, B., & Demeter, Á. Population Balance Modeling of Diastereomeric Salt Resolution,Crystal Growth and Design. 2023.
Susits, M., Orosz, Á., & Szilagyi, B., PyPINNChem: an Open-source Tool for Chemical Reaction Modeling Using Physics-informed Neural Networks, SSRN Electronic Journal. 2023.
Orosz, Á., Bosits, M. H., Pusztai, É., Pataki, H., Szalay, Z., Demeter, Á., & Szilágyi, B., Diastereomer salt crystallization: Comprehensive process modeling and DoE-driven comparison of custom-coded and user-friendly simulators, Chemical Engineering Journal. 2023.
Orosz, Á., Héberger, K., & Rácz, A., Comparison of Descriptor- and Fingerprint Sets in Machine Learning Models for ADME-Tox Targets, Frontiers in Chemistry. 2022.
Conference Presentation
Orosz, Á., Szilágyi, B. “Maximizing similarity: Using correlation coefficients to calibrate kinetic parameters in PBMS”, International Symposium on Industrial Crystallization (ISIC), September 5-8, 2023, Glasgow, UK.
Orosz, Á., Szilágyi, B. “Population Balance Equation based modeling for the crystallization process of pregabalin’s diastereomeric salts”, 7th International Conference on Population Balance Modeling (PBM), May 9-11, 2022, Lyon, France.
Education
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