Graduate Students

    Alexander Best

    BS Chemical Engineering
    University of Connecticut
    Research: Expanding the scope of polymer modeling

    Yash Chainani

    BS Chemical Engineering
    University of California, Berkeley
    Research: Bioinformatics
    Co-advised by Keith Tyo

    Matthew Coile

    BS Chemical Engineering
    University of Kentucky
    Research: Designing highly recyclable plastics

    Tracey Dinh

    BS Chemical and Biomolecular Engineering
    Georgia Institute of Technology
    Research: Computational metabolic engineering
    Co-advised by Keith Tyo

    Shivani Kozarekar

    BS Chemical Engineering
    University of Michigan
    Research: Designing highly recyclable plastics

    Guanhua Wang

    BS Chemical and Biomolecular Engineering, University of Illinois at Urbana-Champaign
    Research: Computational design for reprocessable polymers

    Tung Nguyen

    BS & MS Chemical Engineering
    University of Nebraska-Lincoln
    Research: Autoxidation polymer modeling

    Christina Thaggard

    BS Bioengineering
    North Carolina A&T State University
    Research: Metabolic Pathway Design
    Co-advised by Keith Tyo

    Jake Martin

    BS Chemical and Biomolecular Engineering
    The Ohio State University
    Research: Computational metabolic engineering
    Co-advised by Keith Tyo

    Matthew Hayes

    BS Chemical Engineering
    BS Mathematics
    Arizona State University
    Research: Modeling electrocatalytic organic oxidation reactions
    Co-advised by Linsey Seitz

    William Sprague

    BS Chemical Engineering
    University of Texas at Austin
    Research: Accelerating synthetic pathway discovery with machine learning

    Geoffrey Bonnanzio

    BS Chemical Engineering
    University of Delaware
    Research: Computational Metabolic Engineering
    Co-advised by Keith Tyo

    Stefan Pate

    BA Neurobiology
    Harvard College
    Research: Metabolic Engineering
    Co-advised by Keith Tyo

    Dachey Lin

    BS, Chemical Engineering, University of Texas at Austin, Texas
    Research: Polymer Degradation Modeling

    Postdoctoral Fellows

    Quan Zhang

    BS, Chemical Engineering, Tianjin University, China
    MS, Mechanical Engineering, Southern Illinois University Carbondale
    PhD, Engineering Science, Southern Illinois University Carbondale
    Research: Discovery of Novel Pathways Using Artificial Intelligence

    Sri Bala Gorugantu

    BS, Chemical Engineering, BMS College of Engineering
    MS, Indian Institute of Technology Madras
    PhD, Ghent University
    Research: Mechanistic modeling of polyurethane decomposition for monomer recovery

    Aswathy Raghu

    BS, Chemical Engineering, Government Engineering College, Thrissur
    MS & PhD, Chemical Engineering, Indian Institute of Technology, Madras
    Research: Microkinetic modelling of plastic pyrolysis

    Alexander Shaw

    MChem, Chemistry, Sheffield Hallam University
    PhD, Chemistry, Queen’s University Belfast
    Research: Mechanistic and kinetic modelling of polymer formation and degradation

    Xiaoyang Liu

    BS, Applied Physics, Jilin Normal University, China
    MS, Materials Physics and Chemistry, Shanghai University of Engineering Science, China
    Ph.D., Chemical Engineering, The University of Alabama
    Research: Microkinetic modeling of lignin depolymerization.

    Sai Praneet Batchu

    BS, Chemical Engineering, Indian Institute of Technology Madras (IIT Madras)
    Ph.D., Chemical Engineering, The University of Delaware
    Research: Kinetic modeling of metabolic pathways and heterogenous catalytic reactions.

    Undergraduate Students

    Hunter Lee

    BS, Chemical Engineering, Northwestern University, Evanston
    Research: Designing highly recyclable plastics

    Professor Linda Broadbelt

    Linda Broadbelt is Sarah Rebecca Roland Professor in the Department of Chemical and Biological Engineering and the Associate Dean for Research of the McCormick School of Engineering and Applied Science at Northwestern University. She was Chair of the Department of Chemical and Biological Engineering from 2009-2017. She was also appointed the Donald and June Brewer Junior Professor from 1994-1996. She has completed the short course Business for Scientists and Engineers through the Kellogg Graduate School of Management. Her research and teaching interests are in the areas of multiscale modeling, complex kinetics modeling, environmental catalysis, novel biochemical pathways, and polymerization/depolymerization kinetics. She served as the Past Chair, Chair, First Vice Chair and Second Vice Chair of the Catalysis and Reaction Engineering Division of AIChE, and also previously served on the Executive Board of the National Program Committee of AIChE.

    She is currently an Associate Editor for Industrial & Engineering Chemistry Research. Her honors include selection as the winner of the R.H. Wilhelm Award in Chemical Reaction Engineering from AIChE, the E.V. Murphree Award in Industrial Chemistry and Engineering from the American Chemical Society, the Dorothy Ann and Clarence Ver Steeg Award, a CAREER Award from the National Science Foundation, an AIChE Women’s Initiative Committee Mentorship Excellence Award, selection as a Fellow of the American Association for the Advancement of Science, a Fellow of AIChE, a Fulbright Distinguished Scholar, appointment to the Defense Science Study Group of the Institute for Defense Analyses, selection as the Su Distinguished Lecturer at University of Rochester, Ernest W. Thiele Lecturer at the University of Notre Dame, and the Allan P. Colburn Lecturer at the University of Delaware. She was elected to the National Academy of Engineering in 2019.

    Alumni

    Grant Marsden PhD| "Computational Modeling of transforming light hydrocarbon fuels" | Shell

    Kevin Shebek PhD| Dow

    Rebecca Harmon PhD| "Computational Modeling of Polymerization and Degradation of Complex Polymer Systems" | The Ohio State University

    Jonathan Strutz PhD| "Exploring the Uncharted Biochemical Universe: Predicting Metabolites across Scales"

    Joseph Ni PhD| "Integrating Cheminformatics & Bioinformatics Approaches to Build Infrastructures for Novel Biosynthetic Pathway Exploration" | Lanzatech

    Elsa Koninckx PhD| "Light Hydrocarbon Adsorption and Oligomerization in Acidic and Ni-Acid Zeolites" | DuPont

    Manali Dhawan PostDoc| "Modeling Nylon Intermediates and Pathways" | Eastman Chemical Company

    Maksim Tyufekchiev PostDoc| "Lignin KMC Modeling" | Honeywell UOP

    Charmaine Bennett PhD| "Regioselective Ring Opening of Epoxides" | Dow Chemical Company

    Mihir Bhagat PhD| "Catalytic isomerizations of polyether, polyalcohols for use in polyurethane manufacturing" | Consulting at Guidehouse

    Lauren Dellon PhD| "Computational Modeling for Biomass Pyrolysis Applications" | Tachyus

    Sergio Vernuccio PostDoc| "Microkinetic model of propylene oligomerization on Brønsted acidic zeolites at low conversion" | University of Sheffield

    Rob Brydon PhD| "Microkinetic Modeling of Homogeneous and Catalyzed Oxidation Systems" | Gamma Technologies

    Rosalia Rizo MA| "Application of a Generalized Framework to a Coupled Structural and Kinetic Model of Lignin Pyrolysis" | Avery Dennison in Belgium

    Xiaowei Zhou PostDoc| "A Mechanistic Model of Fast Pyrolysis of Hemicellulose" | The Chemours Company

    Jennifer Greene PhD| "Expanding Computational Metabolic Modeling Methods"| ExxonMobil

    Lindsay Oakley PhD| "Mechanistic Studies of the Autoxidative Curing of an Oil-Based Paint Model System" | University of Copenhagen

    Ying Yu PhD| "Mechanistic Study of Regio-selective Epoxide Ring Opening Reactions Using Lewis Acid Catalysts" | Dow Chemical Company

    Hanyu Gao PhD| "Process Simulation and Optimization of Free Radical Polymerization" | MIT

    Adam Pelzer MS| Uptake

    Abraham Yanez-McKay PhD| "Lignin Deconstruction Understood Through Coupled Structural and Kinetic Models" | Cummins

    Guozhen Zhang, Postdoc | "Computational study on the copolymerization propagation kinetics of methacrylates" | USTC

    Heather Mayes PhD | "Uncovering Molecular Mechanisms Underlying Thermochemical and Enzymatic Cellulose Decomposition" | University of Chicago Post Doc, continued to University of Michigan

    Matthew Moura PhD | "Computational and Experimental Techniques for the Application of Promiscuous Enzymes to Novel Biosynthetic Pathway Development" (co-advised by Keith Tyo) | UGreenlight Biosciences

    Andrew Stine PhD | "Utilization and Computational Generation of Enzymatic Reaction Rules to Predict and Analyze Biochemical Pathways" | Immunetrics

    Beatriz Peñalver Bernabé PhD | "Dynamic Systems Biology Approaches for Regenerative Medicine" (co-advised by Prof. Lonnie Shea) | Northwestern Post Doc

    Renhu Ma PhD | "Computational Screening of Catalysts for Carbon Dioxide Hydrolysis" | Cummins

    Venkat Reddy Regatte PostDoc | Developing a kinetic Monte Carlo framework for modeling of acrylic polymers | Sandvik Asia Pvt Limited, Pune, India

    Di Wu PhD | "Development of a Structural-based Enzyme Screening Strategy and Its Application" | Intel

    Kanika Mital MA | "A DFT Study of the Epoxidation of Alkenes using Free and Supported Peroxyacids" | Northwestern University

    Kate Bjorkman PhD | "Computational Methods for Analysis of Complex Catalytic Reaction Networks" | Honeywell UOP

    Satyender Goel PostDoc | Detailed chemical kinetic model for surface chemistry of C-SiC-SiO2 rubber composite materials | Chicago Health Information Technology Regional Extension Center

    Majeed S. Shaik PostDoc | Computational screening of catalysts for carbon dioxide hydrolysis | Shell

    Parag A. Deshpande PostDoc | Biomimetic catalyst design using density functional theory | Indian Institute of Technology, Kharagpur

    Vinu Ravikrishnan PostDoc | Kinetic modeling of pyrolysis of biomass and polymers | Associate Professor at Indian Institute of Technology, Madras

    Ivan Konstantinov PhD | "Towards the Rational Design of Biomimetic Catalytic Materials: A Molecular Modeling Approach" | Dow Chemical Company

    Patrick Ryan PhD | "Metal-Organic Frameworks and Porphyrin Nanomaterials for Hydrogen Storage, Gas Separations, and Catalysis" (co-advised by Prof. Randy Snurr) | Baxter

    Eric Mondor MA | "Group Additivity Determination for Enthalpies of Formation of Carbenium Ions and Microkinetic Modeling of Solid Acid Catalyzed Isobutane/Butene Alkylation" | High School Teacher, Tampa, FL

    Janine Cheng Postdoc | Microkinetics modeling on solid acid akylation | BASF, Germany

    Gloria Emberger Oxford PhD | "Analysis and Design of Supramolecular Metal-Organic Complexes for Catalysis and Separations" | Freelance Editor, American Journal Experts

    Andrew Adamczyk PhD | "Prediction of Silicon Nanoparticle Formation: Thermochemistry and Kinetics Generalized from Quantum Chemistry" | Air Products and Chemicals, Inc.

    Lin Wang PhD | "Designing Polymer Architectures through Synthesis, Characterization and Kinetic Analysis" | Dow Chemical Company

    Xiaoying Bao PhD | "Molecular Modeling of Enantioselective Adsorption in Metal-Organic Frameworks" | General Electric

    Stacey Finley PhD | "Computational Approaches to Systems Biology: Applications in Xenobiotic Metabolism and Cellular Signaling" | Assistant Professor Department of Biomedical Engineering, University of Southern California

    Chunyi Sung PhD | "Quantum Chemical Investigations of NOx Reduction with BaY Zeolites" | Postdoctoral fellow at Northwestern University

    Andrew Cho PhD | "Mechanistic modeling of nitroxide-mediated controlled radical polymerization" | Eagle Seven Trading

    Rajeev Surendran Assary Postdoc | Discovery of novel biochemical pathways | Argonne National Laboratory

    Seth Levine PhD | "Mechanistic Modeling of Polymer Pyrolysis: Investigation of Intrinsic Kinetics, Reaction Pathways, and Structural Heterogeneities" | Genomatica

    Xinrui Yu PhD | "Kinetic Modeling of Acrylate Polymerization at High Temperature" | ExxonMobil

    Rodney Priestley | "Effects of Nanoscale Confinement and Interfaces on the Structural Relaxation of Amorphous Polymers Monitored at the Molecular Scale by Fluorescence and Dielectric Spectroscopy" (co-advised by Prof. John Torkelson) | Associate Professor at Princeton University

    Simon Albo PhD | "Development and Application of Tools for Modeling Mass Transport and Catalytic Reaction in Nanostructured Membranes" (co-advised by Prof. Randy Snurr) | Honeywell UOP

    Jim Pfaendtner PhD | "Mechanistic Modeling of Hydrocarbon Autoxidation: Theory and Application to the Study of Lubricant Degradation" | Associate Professor at the University of Washington

    Joanna González-Lergier PhD | "Theoretical Considerations and Computational Analysis of the Complexity in Polyketide Synthesis Pathways" (co-advised by Prof. Vassily Hatzimanikatis) | In-house Editor, American Journal Experts

    Chris Henry | "Computational Thermodynamic and Biosynthetic Analysis of Genome-Scale Metabolic Models" (co-advised by Prof. Vassily Hatzimanikatis) | Argonne National Laboratory

    Matt Jankowski PhD | "On the Feasibility of Novel Biochemical Transformations: A Thermodynamics and Constraints-Based Study" (co-advised by Prof. Vassily Hatzimanikatis) | Mayo Clinic

    Chunhui Li PhD | "A Computational Framework for the Discovery of Novel Biotransformations" (co-advised by Prof. Vassily Hatzimanikatis) | Pace Analytical, Inc.

    Debarshi Majumder PhD | "Multiscale Modeling in Materials Design: Molecular Square Catalysis" | Honeywell UOP

    Maria Curet-Arana PhD | "Mechanistic Analysis of Styrene Epoxidation Catalyzed by Manganese Porphyrins and Molecular Squares" | Associate Professor at University of Puerto Rico Mayaguez

    Shumaila Khan PhD | "Computational Chemistry and Mechanistic Modeling of Atmospheric Chemistry: Models of Alkane and Oxygenate Chemistry" | Abbott Labs

    Chen Ramachandran PhD | "Solvent Effects in the Liquid Phase Epoxidation of 1-Hexene with Titanium Silicate-1" (co-advised by Prof. Randy Snurr) | Shell

    Debarshi Majumder PhD | "Multiscale Modeling in Materials Design: Molecular Square Catalysis" | Honeywell UOP

    Maria Curet-Arana | "Mechanistic Analysis of Styrene Epoxidation Catalyzed by Manganese Porphyrins and Molecular Squares" | Assistant professor at University of Puerto Rico Mayaguez

    Hsi-Wu Wong PhD | "Analysis of Complex Reaction Systems: Application to the Chemistry of Silicon Nanoparticle Formation and Polystyrene/Polypropylene Degradation" | Assistant Professor at University of Massachusetts at Lowell

    Todd Kruse PhD | "Detailed Mechanistic Modeling of Polymer Degradation: PhD Application to Polystyrene, Polypropylene and Polystyrene/Polypropylene Mixtures" | Honeywell UOP

    Scott McMillan PhD | "Modeling Nitrogen Oxide Catalysis Over Cobalt-Exchanged Zeolites: The Role of Cobalt-Zeolite Coordination Environment" (co-advised by Prof. Randy Snurr) | Intel

    Ned Haubein PhD | "Koch Carbonylation of Methyl tert-Butyl Ether: Challenges in Liquid Phase Mechanistic Modeling and Many-Body Optimization" | Penn Medicine

    David Dooling PhD | "Development and Analysis of Kinetic Models for Nonuniformity in Heterogeneous Catalysis" | Washington University at St. Louis

    Oh Sang Woo PhD | "Resource Recovery of Polystyrene to Monomer Through Binary Mixture Pyrolysis and Base Catalysis" | 3M

    Matthew De Witt PhD | "Elucidation of the Primary Reaction Pathways and Degradation Mechanism During Coprocessing of Polymeric Waste with Coal" | Dayton Research Institute

    Letitia Garber MA | "The Thermal and Catalytic Degradation of High Density Polyethylene using HUSY and HZSM-5 Zeolites" | Kraft Foods

    David Klinke PhD | "Computational Developments in Heterogeneous Catalytic Reaction Modeling: Mechanisitic Elucidation of Fischer-Tropsch Synthesis" | Associate professor at West Virginia University