Publications

Main PharmaPy paper

  1. Daniel Casas-Orozco, Daniel Laky, Vivian Wang, Mesfin Abdi, X. Feng, E. Wood, Carl Laird, Gintaras V. Reklaitis, and Zoltan K. Nagy. PharmaPy: An object-oriented tool for the development of hybrid pharmaceutical flowsheets. Computers & Chemical Engineering, 153:107408, oct 2021. URL: https://linkinghub.elsevier.com/retrieve/pii/S0098135421001861, doi:10.1016/j.compchemeng.2021.107408.

Application papers

  1. Daniel Joseph Laky, Daniel Casas-Orozco, Carl D. Laird, Gintaras V. Reklaitis, and Zoltan K. Nagy. Simulation–Optimization Framework for the Digital Design of Pharmaceutical Processes Using Pyomo and PharmaPy. Industrial & Engineering Chemistry Research, 61:16128–16140, oct 2022. URL: https://pubs.acs.org/doi/10.1021/acs.iecr.2c01636, doi:10.1021/acs.iecr.2c01636.

  2. Daniel Casas-Orozco, Daniel Joseph Laky, Jaron Mackey, Gintaras V. Reklaitis, and Zoltan K. Nagy. Reaction kinetics determination and uncertainty analysis for the synthesis of the cancer drug lomustine. Chemical Engineering Science, pages 1–13, 2023.

  3. Daniel Casas-Orozco, Daniel Joseph Laky, Vivian Wang, Mesfin Abdi, X. Feng, Erin Wood, Gintaras V. Reklaitis, and Zoltan K. Nagy. Techno-economic analysis of dynamic, end-to-end optimal pharmaceutical campaign manufacturing using PharmaPy. AIChE Journal, 2023.

Conference papers

  1. Daniel Casas-Orozco, Daniel Joseph Laky, Vivian Wang, M. Abdi, X. Feng, E. Wood, Gintaras V. Reklaitis, Carl D. Laird, and Zoltan K. Nagy. Application of PharmaPy in the digital design of the manufacturing process of an active pharmaceutical ingredient. In Metin Turkay and Rafiqul Gani, editors, 31st European Symposium on Computer Aided Process Engineering, pages 333–339. Elsevier, Amsterdam, 2021. doi:10.1016/B978-0-323-85159-6.50355-9.

  2. Daniel Casas-Orozco, Jaron Mackey, Ilke Akturk, Gintaras V. Reklaitis, and Zoltan K. Nagy. Extended Multiple-Curve Resolution framework for the calibration of first-principles models. In 33rd European Symposium on Computer Aided Process Engineering. 2022.

  3. Daniel Joseph Laky, Daniel Casas-Orozco, Francesco Rossi, Gintaras V. Reklaitis, and Zoltan K. Nagy. Determination of probabilistic design spaces in the hybrid manufacture of an active pharmaceutical ingredient using the Python-based framework PharmaPy. In 14th International Symposium on Process Systems Engineering – PSE 2021+, 2131–2136. Kyoto, Japan, 2022. doi:10.1016/B978-0-323-85159-6.50355-9.

Book chapters

  1. Daniel J. Laky, Daniel Casas-Orozco, Francesco Destro, Massimiliano Barolo, Gintaras V. Reklaitis, and Zoltan K. Nagy. Integrated Synthesis, Crystallization, Filtration, and Drying of Active Pharmaceutical Ingredients: A Model-Based Digital Design Framework for Process Optimization and Control. In Springer Optimization and Its Applications, volume 189, pages 253–287. 2022. URL: https://link.springer.com/10.1007/978-3-030-90924-6{\_}10, doi:10.1007/978-3-030-90924-6_10.