2025 AIChE Annual Meeting

(387ai) A Hybrid Computational-Experimental Approach to Accelerating Process Development and Scale-up

Authors

Joshua Howe, Texas Tech University
Developing robust and scalable manufacturing processes for specialty chemicals and pharmaceuticals is critical for bringing new products to market efficiently. However, traditional experimental approaches to process optimization can be time-consuming and resource intensive. To address this challenge, my work integrates hands-on industrial process development with first-principles computational modeling. My expertise spans from practical process scale-up, technology transfer, and CMC documentation (gained at Corteva Agriscience, Materia, and SABIC) to deep theoretical analysis using density functional theory (DFT) and molecular dynamics (MD). In my Ph.D. research, I developed a computational workflow to rationally design novel macrocyclic polymers for targeted separations of persistent organic pollutants like PFAS from groundwater. This modeling-first approach successfully identified key structure-property relationships, guiding leading to subsequent experimental validation. In my industrial work, I applied process modeling and experimental design to reduce key tox-relevant impurities in a late-stage commercial product pipeline.

Research Interests:

My career interests lie in applying this integrated computational and experimental approach to solve critical challenges in process development, scale-up, and manufacturing for the pharmaceutical and specialty chemical industries. I am seeking a full-time R&D Scientist or Process Development Engineer role where I can contribute to bringing innovative products and advanced materials to market by developing robust developing robust and efficient scalable manufacturing processes.