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Data Scientist, Chemical Engineer

I’m actively exploring opportunities to re-enter the workforce after establishing my family and possess a broad and deep set of technical, data, and engineering skills.

My specific areas of interest and passion include research & development, innovation, and problem-solving at scale. I’m excited to explore opportunities aligning with these areas of professional growth.

On my site, you will find more detailed information about my education, background and work experience along with a few case studies showcasing my skills within the data analytics and data science field.

My Skills

Below is a breakdown of my skills in both data science and engineering.

Languages: Spreadsheets/Excel, SQL, Python, R, C++, C, Perl, FORTRAN 90

Data: Analysis, Cleaning, Data-driven decision making

Data Visualization: Matplotlib, Seaborn, Plotly, Dash, ggplot, Tableau

Data Modeling: Pandas, Numpy, ScikitLearn

Software and Tools: Microsoft Office, Git, JupyterNotebooks, BigQuery, MATLAB, LaTex, Maple, CFDRC

OS: Linux/Unix, MacOS, Windows

Quantum Chemistry Software: Gaussian, Spartan, Jaguar, QChem, GAMESS, Tinker

Education

CERTIFICATIONS

02/2024: Google Data Analytics Certificate/ Grow with Google, Coursera

06/2023: IBM Data Science Professional Certificate/ IBM Training, Coursera

EDUCATION

12/2005: Ph.D. in Chemical Engineering / Northwestern University, Evanston, IL, GPA: 3.77/4.00

05/2000: Bachelor of Science in Chemical Engineering / The University of Illinois at Chicago (UIC), GPA: 4.85/5.00

Work Experience

  • 07/2005 – 06/2007

    Senior Environmental Specialist

    Abbott Laboratories, North Chicago, IL

    Project lead within a team of 6-8 people to support the chemical, fermentation, and water treatment plants

    • Streamlined and centralized one system for emission calculations across site ensuring consistency in capturing and reporting data
    • Ensured site compliance with environmental laws and regulations (Pharmaceutical MACT, LDAR, TitleV, CWA, Pretreatment Standards) while working with EHS Global leadership
    • Coordinated development and conducting training on software for emission calculations
    • Day-to-day work with manufacturing to evaluate environmental issues and cost reduction opportunities
    • Worked with on-site wastewater treatment plant for sample collection and testing as required for meeting environmental standards
    • Data verification and reporting using SQL requiring attention to detail in order to ensure compliance with state standards in a timely manner
    • Teamwork, Communication, adaptability, and problem-solving across global, manufacturing, and site to address health and safety issues effectively
  • 05/2003 – 08/2003

    Pollution Prevention Intern

    Abbott Laboratories and Environmental Protection Agency(EPA), North Chicago, IL

    Worked independently to lead process improvements to reduce the impact of industrial processing on the environment

    • Received pollution prevention training from EPA headquarters in Springfield, IL
    • Led development of a process review tool in collaboration with process support, quality assurance, and environmental groups to reduce emissions and waste
    • Wrote reports and presented findings to the EPA and stakeholders at the plant to rollout the identified issues
    • Collaborated with process support, quality assurance, and environmental groups to follow through with proposed process changes
    • Initiated a solvent collection and recycling project
  • 05/2002 – 05/2003

    Environmental, Health, and Safety Intern

    Pharmacia Corporation, Skokie, IL

    Worked independently on supporting the pilot plant operations

    • Computation of VOC emissions from the pilot plant using a software called BatchPlus to model pharmaceutical production processes
    • Checked process conditions to ensure that the EPA emission limits were not exceeded
    • Prepared reports of all processes run in the pilot plant and tabulated air emission data
  • 04/2001 – 12/2003

    Teaching Assistant

    Northwestern University, Evanston, IL

    Assist professors in ensuring student academics were supported

    • Supervised undergraduate students on assignments in introduction to chemical engineering, advanced thermodynamics, equilibrium separations, and chemical process systems analysis
    • Prepared assignment solutions and graded homework

Research Experience

  • 01/2001 – 07/2005

    Graduate Research

    Computational Kinetic Modeling Lab, Northwestern University, Evanston, IL

    Adviser: Linda J. Broadbelt

    • Worked on modeling the kinetics of ozone formation in the atmosphere due to presence of volatile organic compounds
    • Developed automatic mechanism generation software
    • Improved rate constant estimation algorithms
    • Developed tools for sensitivity analysis
    • Conducted research and created a report outlining the various experimental and theoretical methods available for reaction mechanism elucidation for the European Kinetics Consortium (EUROKIN)
  • 06/1999 – 05/2000

    Undergraduate Research

    Advanced Materials Research Lab / University of Illinois at Chicago, Chicago, IL

    Adviser: Christos G. Takoudis

    • Worked on developing process-property relations in the Si/C/H/O/Cl system for the chemical vapor deposition of silicon carbide with the computer program ThermoEMP
    • Learned the computer program CFDRC to model deposition experiments
    • Researched gallium nitride
    • Exploring thinning of silicon dioxide gate dielectrics

Publications

Khan, S. S., Broadbelt, L. J., Automated Mechanism Generation. Part 2: Application to Atmospheric Chemistry of Alkanes and Oxygenates, Journal of Atmospheric Chemistry, 63(2), 157-186 (2009).

Khan, S. S., Zhang, Q. Z., Broadbelt, L. J., Automated Mechanism Generation. Part 1: Mechanism Development and Rate Constant Estimation for VOC Chemistry in the Atmosphere, Journal of Atmospheric Chemistry, 63(2), 125-156 (2009).

Khan, S. S., Yu, X., Wade, J. R., Malmgren, D., Broadbelt, L. J., Thermochemistry of Radicals and Molecules Relevant to Atmospheric Chemistry: Determination of Group Additivity Values using G3//B3LYP Theory, Journal of Physical Chemistry A, 113, 5176-5194 (2009).

Khan, S. S., Broadbelt, L. J., A Group Additivity Approach for the Prediction of Wavelength-Dependent Absorption Cross-Sections, Atmospheric Environment, 38, 1015-1022 (2004)

Kruse, T., Woo, O. S., Wong, H.-W., Khan, S. S., and Broadbelt, L.J., Mechanistic Modeling of Polymer Degradation: A Comprehensive Study of Polystyrene, Macromolecules, 35(20), 7830-7844 (2002)

 Loukeris, C., Khan, S. S., and Takoudis, C. G., Apriori Process Property Relationships of GaN Epitaxial Growth in Ga/N/H/C/O Systems, MRS Symposium Series, 693, 99-104 (2002)

Loukeris, C., Khan, S. S., and Takoudis, C. G., Apriori Process-Property Relationships of Gallium Nitride Metal Organic Chemical Vapor Deposition, Proceedings of Third Scientific Conference in Chemical Engineering, Athens, Greece, 341-344 (2001)

Presentations

Meetings

Khan, S. S., Broadbelt, L. J., Engineering environmentally benign solvent systems: Mechanistic models of ozone formation in the troposphere, AIChE Annual Meeting, November 2004, Austin, TX

Khan, S. S., Zhang, Q., Malmgren, R. D., Wade, J., Broadbelt, L. J., Engineering environmentally benign solvent systems: Mechanistic models of ozone formation in the troposphere, AIChE Annual Meeting, November 2003, San Francisco, CA

Khan, S. S., Zhang, Q., Broadbelt, L. J., Invited presentation, Automated mechanism generation applied to atmospheric chemistry of volatile organic compounds, 225th ACS National Meeting, March 2003, New Orleans, LA

Khan, S. S., Zhang, Q., Broadbelt, L. J., Mechanistic modeling and rate constant estimation of VOC chemistry in the atmosphere, AIChE Annual Meeting, November 2002, Indianapolis, IN

Posters

Khan, S. S., Zhang, Q., Broadbelt, L. J., Engineering environmentally benign solvent systems: Mechanistic models of ozone formation in the troposphere, Chemical and Biological Engineering Departmental Retreat, September 2003, Northwestern Univ., Evanston, IL

Khan, S. S., Zhang, Q., Broadbelt, L. J., Modeling of ozone formation potentials of volatile organic compounds, AIChE Local Chapter Poster Competition, April 2003, Northwestern Univ., Evanston, IL

Khan, S. S., Zhang, Q., Broadbelt, L. J., Computational chemistry and mechanistic modeling of atmospheric chemistry of volatile organic compounds, Spring Symposium on Computational Science & Engineering, April 2003, Northwestern Univ., Evanston, IL

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