2020 Virtual AIChE Annual Meeting

Session: Computational Approaches for API Process Development - Crystallization and Reaction

Chair

Clark, P., Scale-up Systems Inc.

Co-Chair

Abramov, Y., VP of Scientific Affairs, Xtalpi

Presentations

08:00 AM

(528a) Finite-Size Effects on the Chemical Potentials of Molecular Solids
Dybeck, E., Wood, G.

08:15 AM

(528b) Computer-Aided Design of Solvent Blends for the Crystallisation of Ibuprofen – Regulating Crystal Morphology By the Spiral Growth Model
Watson, O. L., Jonuzaj, S., Galindo, A., Adjiman, C. S., Jackson, G.

08:30 AM

(528c) Machine Learning for Thermodynamic Properties of Materials: Towards the Prediction of Solubility
Vermeire, F., Green, W.

08:45 AM

(528d) Approaching Coupled Cluster Accuracy with a General-Purpose Neural Network Potential
Isayev, O.

09:00 AM

(528e) Kinetic Modelling and Risk Assessment of an Exothermic Fed-Batch Reaction Using Calorimetry
Xia, H., Reizman, B., Mahadevan, M., Mitchell, N., Wilkinson, S., Liu, X.

09:15 AM

(528f) Kinetic Modeling of a Non-Homogeneous Metal-Catalyzed Reaction System for Drug Synthesis
Reizman, B., Mitchell, N., Wilkinson, S., Mahadevan, M., Liu, X.