Computational Approaches for API Process Development - Crystallization and Reaction
- Conference: AIChE Annual Meeting
- Year: 2020
- Proceeding: 2020 Virtual AIChE Annual Meeting
- Room: Pharmaceutical Discovery, Development and Manufacturing Forum (26)
- Location: PreRecorded+
- Time: Wednesday, November 18, 2020 - 8:00am-9:00am
This session covers a broad spectrum of modeling approaches centered on reaction and crystallization applications, including solid state modeling, solid solubility and solvent selection, reaction kinetics for thermal process safety assessment and process optimization, and development of general-purpose neural network potential allowing near couple-cluster prediction of chemistry problems involving organic molecules.
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