2020 Virtual AIChE Annual Meeting

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

Chair

Peter Clark, Scale-up Systems Inc.

Co-Chair

Yuriy Abramov, VP of Scientific Affairs, Xtalpi

Presentations

08:00 AM

(528a) Finite-Size Effects on the Chemical Potentials of Molecular Solids
Eric Dybeck, Geoffrey Wood

08:15 AM

(528b) Computer-Aided Design of Solvent Blends for the Crystallisation of Ibuprofen – Regulating Crystal Morphology By the Spiral Growth Model
Oliver L. Watson, Suela Jonuzaj, Amparo Galindo, Claire S. Adjiman, George Jackson

08:30 AM

(528c) Machine Learning for Thermodynamic Properties of Materials: Towards the Prediction of Solubility
Florence Vermeire, William Green

08:45 AM

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

09:00 AM

(528e) Kinetic Modelling and Risk Assessment of an Exothermic Fed-Batch Reaction Using Calorimetry
Han Xia, Brandon Reizman, Meera Mahadevan, Niall Mitchell, Sam Wilkinson, Xiaohui Liu

09:15 AM

(528f) Kinetic Modeling of a Non-Homogeneous Metal-Catalyzed Reaction System for Drug Synthesis
Brandon Reizman, Niall Mitchell, Sam Wilkinson, Meera Mahadevan, Xiaohui Liu