Session: Industrial Data-Science Applications I

Chair: Prof. Richard D. Braatz, MIT


On the democratization of mathematical models in Pharmaceutical Development

José E. TaboraSenior Scientific Director, Bristol-Myers SquibbPhoto of Jose Tabora

In addition to developing mathematical models to characterize pharmaceutical processes, my work includes developing platforms to increase software access for model developers and enable collaboration for model development and publication. I am passionate about constructing and enhancing pharmaceutical processes, particularly mathematical models for process and material characterization. Examples are in crystallization, Data Exploration Analysis and data visualization, and thermodynamic models for fluid-phase equilibria.

PhD: Chemical Engineering - University of Virginia, 1997
MS: Chemical Engineering - University of Virginia, 1992
BS: Chemical Engineering - Louisiana State University, 1990

Over the past 25 years, José Tabora has worked for companies including Merck, Eli Lilly, and Bristol Myers Squibb (BMS) in the area of drug substance development, and primarily in the chemical synthesis of small molecules intended for oral dosage. Today, within BMS’s Chemical Process Development department, he is developing software to facilitate data integrity and to increase access and utilization of mathematical models. In 2022, he received the AIChE Industrial Research and Development Award for his work in the development and characterization of drug substance processes through innovations in modeling, design of experimentation, data analysis, and visualization.


Computational Science and AI in the Energy Transition Industry

Detlef Hohl,Portrait of Detlef Hohl Shell

I intend to convey that AI is not just “everything that computers can do”, a misconception that I hear all the time in the chemical sector -- and it's not just about AI !

Detlef Hohl is Chief Scientist for Computation and Data Science in Shell Research and also Adjunct Professor at Rice University (Computational and Applied Mathematics) and University of Houston (Computer Science). He has executed and managed many projects in computational materials science, geoscience and petroleum engineering in Shell. He earned his M.Sc. in Chemistry from the Technical University of Munich and his Ph.D. in Physics from RWTH Aachen University.


Discusser: Dr. Birgit "Bea" Braun, Dow

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