Computational Quantum Chemistry

Masoud Soroush is the George B. Francis Chair Professor of Engineering at Drexel University and directs the Future Layered nAnomaterials Knowledge and Engineering (FLAKE) Consortium, collaborating with over 30 researchers from Drexel, the University of Pennsylvania, and Purdue. He has held positions as a Visiting Scientist at DuPont and a Visiting Professor at Princeton. An Elected Fellow of AIChE and Senior Member of IEEE, Soroush has received numerous awards, including the AIChE 2023 Excellence in Process Development Research Award. He holds a BS from Abadan Institute of Technology and MS/PhD degrees from the University of Michigan, with research focusing on advanced manufacturing and nanomaterials.

• 1. Polymers, Polymerization Reactions, and Computational Quantum Chemistry2. A Quantum Mechanical Approach for Accurate Rate Parameters of Free-Radical Polymerization Reactions3. Determination of Reaction Rate Coefficients in Free-Radical Polymerization Using Density Functional Theory4. Theoretical Insights Into Thermal Self-Initiation Reactions of Acrylates5. Theoretical Insights Into Chain Transfer Reactions of Acrylates6. Theory and Applications of Thiyl Radicals in Polymer Chemistry7. Contribution of Computations to Metal-Mediated Radical Polymerization8. A General Model to Explain the Isoselectivity of Olefin Polymerization Catalysts9. From Mechanistic Investigation to Quantitative Prediction: Kinetics of Homogeneous Transition Metal-Catalyzed α-Olefin Polymerization Predicted by Computational Chemistry10. Theoretical Insights into Olefin Polymerization Catalyzed by Cationic Organo Rare-Earth Metal Complexes