Session: Industrial Data-Science Applications I

Chair: Prof. Richard D. Braatz, MIT

On the democratization of mathematical models in Pharmaceutical Development

José E. Tabora, Senior Scientific Director, Bristol-Myers Squibb

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.

Education:
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, 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

Conference Organization

Meeting Program Chairs

Leo H. Chiang (Dow Chemical)

Leo H. Chiang is a Technology Fellow at The Dow Chemical Company Technology responsible for Advanced Analytics and AI programs for global Operations. Leo has developed and implemented several data analytics techniques to solve complex manufacturing problems, resulting in 11 Dow Manufacturing Technology Center Awards. In 2016 he received the Dow R&D Excellence in Science Award in recognition of his scientific achievement in industrial research. Leo has a B.S. degree from University of Wisconsin at Madison and M.S. and Ph.D. degrees from the University of Illinois at Urbana-Champaign, all in Chemical Engineering. Leo has contributed to over 40 externally refereed journal/proceedings papers and has given over 80 conference presentations and university lectures. Leo has co-authored two books published by Springer Verlag. His textbook Fault Detection and Diagnosis in Industrial Systems is available in English and Chinese and has received over 2,000 citations according to Google Scholar. Leo is active in American Institute of Chemical Engineers (AIChE), having served as 2014-2016 Computing and Systems Technology (CAST) director, 2016 CAST 10E programming chair, and 2017-2018 AIChE spring meeting program chair (MPC). Leo was instrumental in setting up the Big Data Analytics Topical Conference (2015 to 2017) and Industry 4.0 Topical Conference (2018-2019) at the AIChE spring meeting. He was recognized by the AIChE with the 2016 Herbert Epstein Award for his leadership on Big Data Analytics technical programming and 2016 Computing Practice Award for his world-class leadership in the development and application of methodologies in analytics for batch and continuous processes known as Big Data.

Phillip R. Westmoreland (North Carolina State University)

Phillip R. Westmoreland is a professor at North Carolina State University, Raleigh NC, in the Department of Chemical and Biomolecular Engineering. During November 2015 until July 2016, he was Leverhulme Trust Visiting Professor in the Department of Mechanical Engineering at Imperial College.He was a Research Engineer in the coal-conversion program at Oak Ridge National Laboratory from 1974-79, was on the faculty of the Chemical Engineering Department at the University of Massachusetts Amherst from 1986-2009, and served at the National Science Foundation in 2006-2009. He is also Honorary Professor at Nanjing University of Technology and served as Professeur invité at the Université de Lorraine. He served as 2013 President of AIChE, the American Institute of Chemical Engineers, and is a currently a trustee of the educational nonprofit CACHE Corporation, having served as its president in 2004-06. He is a past board member of the Combustion Institute (2002-2014), the Council for Chemical Research (2005-07), and AIChE (2009-11), and he was the founding Chair of AIChE's Computational Molecular Science and Engineering Forum.

Arrangements Chair

Ahmet Palazoglu (UC Davis)

Program Committee

Tom Badgwell (Collaborative Systems Integration)

Thomas A. Badgwell is Chief Technology Officer at Collaborative Systems Integration in Clinton, NJ. He received a BS degree from Rice University and MS and PhD degrees from the University of Texas at Austin, all in Chemical Engineering. Tom's career has focused on modeling, optimization, and control of chemical processes, with past positions at Setpoint, Fisher/Rosemount, Rice University, and Aspen Technology. He is a Fellow of the American Institute of Chemical Engineers (AIChE), where he recently served as a Director of the Computing and Systems Technology (CAST) Division. Tom received the Computing Practice Award from the AIChE CAST Division in 2013. He is an Associate Editor for the Journal of Process Control.

Richard Braatz (MIT)

Richard D. Braatz is the Edwin R. Gilliland Professor and Faculty Research Officer of Chemical Engineering at the Massachusetts Institute of Technology (MIT) where he does research in process data analytics and control theory and their application to advanced manufacturing systems. He has consulted or collaborated with more than 20 companies including IBM, United Technologies Corporation, Dow Chemical, Merck, and Novartis. His work has been recognized by the Donald P. Eckman Award, the Curtis W. McGraw Research Award, the IEEE Control Systems Society Transition to Practice Award, and the AIChE CAST Computing in Chemical Engineering Award, and he is Fellow of IEEE, IFAC, AAAS, and AIChE. His coauthored publications include the textbook "Fault Detection and Diagnosis in Industrial Systems" published by Springer Verlag in 2001. He is the President of the American Automatic Control Council and a member of the National Academy of Engineering.

Paulette Clancy (Johns Hopkins)

Selen Cremaschi (Auburn)

Selen Cremaschi is the B. Redd Associate Professor of Chemical Engineering at Auburn University. Her research interests are risk management, optimization, process synthesis, and planning under uncertainty. Her research group works at the intersection of operations research and chemical engineering, and develops systems analysis and decision support tools for complex systems, mainly focusing on healthcare and energy industry. Prior to joining Auburn University, she was a faculty member of the Russell School of Chemical Engineering at the University of Tulsa. She was the recipient of a Tulsa Tau Beta Pi Teaching Excellence award (2010), an NSF CAREER award (2011), and a Zelimir Schmidt Award for Outstanding Researcher (2013) among others. Her research work has been consistently supported by industrial collaborations in addition to federal agencies. She earned a Ph.D. from Purdue University and a M.S. and B.S. from Bogazici University (Turkey), all in chemical engineering.

Martha Grover (Georgia Tech)

Martha Grover is a Professor in the School of Chemical & Biomolecular Engineering at Georgia Tech. She earned her BS in Mechanical Engineering from the University of Illinois, Urbana-Champaign, and her MS and PhD in Mechanical Engineering from Caltech. She joined Georgia Tech as an Assistant Professor in 2002, and received an NSF CAREER award in 2004. In 2011 she received the Outstanding Young Researcher Award from the Computing and Systems Technology Division of AIChE. Her research program is dedicated to understanding, modeling, and engineering the self-assembly of atoms and small molecules to create larger scale structures and complex functionality. Her approach draws on process systems engineering, combining modeling and experiments in applications dominated by kinetics, including surface deposition, crystal growth, polymer reaction engineering, and colloidal assembly. She is a member of the NSF/NASA Center for Chemical Evolution, and the Georgia Tech Center for Organic Photonics and Electronics.

Jay Lee (KAIST)

Jean Tom (Bristol Myers Squibb)

Technical Sponsor

CACHE Corporation

CACHE (cache.org) is a 501(c)(3) not-for-profit that promotes the development and distribution of computer-related and/or technology-based educational aids for the chemical engineering profession.

FOPAM