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Professional Experience

Senior Data Scientist | Jan 2020

Othot Inc. Pittsburgh, PA

  • Build, validate, and troubleshoot machine learning models using internal tools and metrics and perform individual research on various modeling problems
  • Add new functionalities, improve performance and code quality of the internal data science Python library
  • Create documentation website to document internal library usage, modeling approaches and research experiments
  • Determine and implement specific release features for the data science engine (including unit and integration tests for validation) on a quarterly basis
  • Ensure compliance with SOC 2 Type 2 certification and implement CI/CD tools to improve process efficiency and code quality
  • Perform stringent data checks to identify and address inconsistent data issues and leak variables (automated)
  • Communicate data science results and insights to other team members and our customers
  • Periodically review customer data and models to identify significant changes and/or issues in the data or predictions

Computational Engineering Fellow | Jan 2019 – May 2019

NuMat Technologies, Inc. Skokie, IL

  • Development of a proprietary Python library for computational materials design. Automation and simplification of various molecular simulations tools and integration with high-performance cloud computing (AWS). Creating a workflow to perform reproducible and trackable experiments. Using the tools developed, research was performed to discover next generation candidate materials.
  • Design and 3D printing of custom parts to be integrated into the production line to improve speed and decrease material loss during production.
  • Develop and install hardware and software for process controllers including remote control with a web interface.

Clinical Research Intern | Aug 2013 - Sep 2013

AbbVie Pharmaceutical Research & Development Istanbul, Turkey

  • Examined the procedures of various phase clinical trials, organized and translated official documents.
  • Studied the mechanism of action for several drugs in trial and presented the simplified mechanisms to clinical research department personnel.

Quality Control and Production Intern | Aug 2011 - Sep 2011

EVYAP Sabun, Yağ, Gliserin Sanayi ve Ticaret A.Ş. Istanbul, Turkey

  • Learned various quality control methods and observed the production of various hygienic and cosmetic products.
  • Investigated the quality problems and suggested new solutions to overcome these problems by making a presentation to the related departments and their coordinators.


PhD student in Chemical & Petroleum Engineering | Sep 2015 - Jan 2020

University of Pittsburgh, Swanson School of Engineering Pittsburgh, PA
Dissertation Title: Computational materials design for molecular machinery: From nanoporous crystals to nanoscale racecars
Adviser: Dr. Christopher E. Wilmer

M.S. in Chemical & Biological Engineering | Sep 2013 – June 2015

Koc University, Graduate School of Science and Engineering Istanbul, Turkey
Dissertation Title: “Computational and Experimental Investigation of Methane Adsorption in Pure and Ionic Liquid Modified Metal-Organic Frameworks”
Advisers: Dr. Seda Keskin & Dr. Alper Uzun

B.S. in Chemical & Biological Engineering | Sep 2008 – June 2013

Koc University, School of Engineering Istanbul, Turkey
Energy and Environmental Engineering Track

Erasmus Exchange Program | Feb 2012 – Aug 2012

Eindhoven University of Technology, School of Engineering Eindhoven, The Netherlands

Research Experience

Graduate Research Assistant | Sep 2015 – Jan 2020

Hypothetical Materials Lab (WilmerLab), University of Pittsburgh Pittsburgh, PA

  • Working on several projects to develop new computational methods for the discovery of novel materials, focusing on supramolecular structures and metal-organic frameworks.
  • Collaborating with faculty and fellow graduate students across departments to pursue experimental synthesis of hypothetical structures discovered by these computational tools.

Graduate Research Assistant | Sep 2013 – June 2015

Nanomaterials, Energy and Molecular Modelling Research Group, Koc University Istanbul, Turkey

  • Performed grand canonical Monte Carlo (GCMC) and Molecular Dynamics (MD) simulations of Metal-Organic Frameworks (MOFs) to screen these materials for gas storage and separation applications.
  • Investigated the structural and thermodynamic properties of MOFs to understand methane adsorption mechanism and constructed models to predict methane storage of MOFs at various temperature and pressures.

Graduate Research Assistant | Sep 2013 – June 2015

Koc University Tupras Energy Center (KUTEM) Istanbul, Turkey

  • Investigated post-synthetic modifications of MOFs and zeolites using ionic liquids to enhance gas storage/selectivity performances concentrating on flue gas separation. Prepared and characterized composite materials by TGA, XRD, FT-IR, surface area, pore volume, and various gas adsorption measurements.

Visiting Research Assistant | Feb 2012 - July 2012

Energy Materials & Devices Research Group, Eindhoven University of Technology Eindhoven, Netherlands

  • Designed, fabricated and analyzed enzyme (glucose oxidase) dispersed carbon nanotube electrodes. Measured their glucose oxidation performances using various electrochemical measurements.


9) Sezginel, K. B., and Wilmer C. E. Modeling diffusion of nanocars on a Cu (110) surface. Molecular Systems Design & Engineering, 5 (2020): 1186-1192.

8) Sezginel, K. B., Lee S., Babaei, H. and Wilmer, C. E. Effect of flexibility on thermal transport in breathing porous crystals. Journal of Physical Chemistry C, 124 (2020): 18604–18608.

7) Chao, Z., Sezginel, K. B., Xu, K., Crouch, G. M., Gray, A. E., Wilmer, C. E., Bohn, P. W., Go, D. B., and Fullerton-Shirey, S. K. Silver Nanofilament Formation Dynamics in a Polymer‐Ionic Liquid Thin Film by Direct Write Advanced Functional Materials, 20 (2019): 1-8.

6) Gülsoy, Z., Sezginel, K. B., Uzun, A., Keskin, S. and Yıldırım, R. Analysis of CH4 Uptake over Metal–Organic Frameworks Using Data-Mining Tools. ACS Combinatorial Science, 21 (2019): 257-268.

5) Sezginel, K. B., Asinger, P. A., Babaei, H., and Wilmer, C. E. Thermal transport in interpenetrated metal-organic frameworks. Chemistry of Materials, 30 (2018): 2281-2286.

4) Sezginel, K. B., Feng, T. and Wilmer, C. E. Discovery of hypothetical hetero-interpenetrated MOFs with arbitrarily dissimilar topologies and unit cell shapes. CrystEngComm 19.31 (2017): 4497-4504.

3) Sezginel, K. B., Keskin, S. and Uzun, A. Tuning the gas separation performance of CuBTC by ionic liquid incorporation. Langmuir 32.4 (2016): 1139-1147.

2) Basdogan, Y., Sezginel, K. B. and Keskin, S. Identifying highly selective metal organic frameworks for CH4/H2 separations using computational tools. Industrial & Engineering Chemistry Research 54.34 (2015): 8479-8491.

1) Sezginel, K. B., Uzun, A. and Keskin S. Multivariable linear models of structural parameters to predict methane uptake in metal–organic frameworks. Chemical Engineering Science 124 (2015): 125-134.

Conference Presentations

Oral presentations only

Sezginel, K. B., Nash J. and Wilmer, C.E., “How to Design a Fast Nanocar.”, AIChE 2019, Orlando, FL, November 11, 2019. Click here for slides

Sezginel, K. B., Nash J. and Wilmer, C.E., “Tools for computational design of artificial molecular machines.”, ACS 2019, Orlando, FL, April 4, 2019. Click here for slides

Sezginel, K. B., Babaei H. and Wilmer, C.E., “Computational Screening of Thermal Conductivity of MOFs.”, MOF 2018 Young Investigator Symposium, Rotorua, NZ, Dec. 8, 2018.

Sezginel, K. B., Asinger P. A., Babaei H. and Wilmer, C.E., “Thermal transport in interpenetrated metal-organic frameworks.”, AIChE Annual Meeting, Pittsburgh, PA, Oct. 31, 2018.

Sezginel, K. B. and Wilmer, C.E., “Surface Diffusion of Large Molecules: A Computational Study.”, AIChE Annual Meeting, Pittsburgh, PA, Oct. 28, 2018.

Sezginel, K. B. and Wilmer, C.E., “Tools for computational design of artificial molecular machines.”, Avogadro User Group Meeting, Pittsburgh, PA, August 25, 2018.

Sezginel, K. B., Asinger P. A., Babaei H. and Wilmer, C.E., “Thermal transport in entangled metal-organic frameworks.”, Simulators Meeting, Midwest Thermodynamics and Statistical Mechanics Meeting, Pittsburgh, PA, June 4, 2018.

Sezginel, K. B., Asinger P. A., Babaei H. and Wilmer, C.E., “Thermal transport in entangled metal-organic frameworks.”, Simulators Meeting, Carnegie Mellon University, Pittsburgh, PA, May 22, 2018.

Sezginel, K.B., Feng T., Wilmer, C.E., “Theoretical Prediction of Interpenetrating Metal-Organic Frameworks”, AIChE Annual Meeting, San Francisco, CA, Nov. 15, 2016.

Sezginel, K.B., Feng T., Wilmer, C.E., “Theoretical Prediction of Interpenetrating Metal-Organic Frameworks”, Simulators Meeting, Carnegie Mellon University, Pittsburgh, PA, May 25, 2016.

Sezginel K.B., Uzun A., Keskin S., “Prediction of CH₄ Storage Performance of Metal-Organic Frameworks”, AIChE Annual Meeting, Atlanta, GA, Nov. 17, 2014.

Sezginel K.B., Uzun A., Keskin S., “Prediction of CH₄ Storage Properties of Metal-Organic Frameworks”, NanoTR 2014, Yeditepe University Istanbul, Turkey, June 21, 2014.

Teaching and Mentoring Experience

Graduate Mentor | Spring 2016 – Present

Hypothetical Materials Lab (WilmerLab) University of Pittsburgh, PA

  • Mentored three undergraduate and two master students in data collection and analysis for various projects.
  • Guided the students in preparation and presentation of research findings.

Teaching Assistant | Spring 2017

ENG 0712 (Honors Engineering Analysis and Computing) University of Pittsburgh, PA

  • Attended lectures to help students with the assignments and graded assignments.

Teaching Assistant | Fall 2013 & Fall 2014

CHBI 403 (Process and Product Design) Koc University, Istanbul, Turkey

  • Instructed weekly lab sessions for teaching Aspen HYSYS software. Prepared and graded quizzes for lab sessions, assigned four design projects and evaluated them, proctored the midterms and finals.

Teaching Assistant | Spring 2015

CHBI 491 (Chemical and Biological Engineering Senior Project) Koc University, Istanbul, Turkey

  • Held weekly meetings with project group members and Prof. Can Erkey to discuss the project, assisted the project group members by providing them supportive articles for their project and giving ideas.

Teaching Assistant | Spring 2014

CHEM 103 (General Chemistry) Koc University, Istanbul, Turkey

  • Attended weekly lab sessions of freshman students, graded quizzes, lab reports and midterm questions, proctored the midterms and finals.

Honors and Awards

  • Braskem America Inc. Award (outstanding PhD student in Chemical Eng. Department, University of Pittsburgh)
  • 2019 IBM BlueHack Hackathon in Pittsburgh, PA (2nd place)
  • Molecular Sciences and Software Institute (MolSSI) Fellow (2018 Phase I)
  • Startup Blitz Pitch Competition, First Place, University of Pittsburgh ($1500 prize)
  • Best Graduate Paper Award (Summer ‘17), Chemical Engineering Department, University of Pittsburgh
  • Attended Foresight Institute 2017 Workshop: Artificial Intelligence for Molecular Machines
  • Innocentive challenge entitled Chemical Sorbents for Fixed Bed Mercury (Hg0) Control ($5000 prize)
  • Full Merit Scholarship – University of Pittsburgh PhD & Koc University, BS and MS
  • Best Chemical and Biological Engineering Senior Project Award (Biodiesel Production from Algae Oil)
  • Carnegie Library of Pittsburgh STACKS featured musician (


  • Language: English (Advanced) TOEFL iBT (110/120), Dutch (Beginner), Turkish (Native)
  • Graphics: Scientific visualization portfolio
  • Software: Python (Advanced), Javascript (Intermediate), Matlab (Advanced) and computational chemistry: RASPA, Lammps, Orca, Materials Studio, Aspen HYSY. Experienced in big data analysis and high-throughput screening.
  • Lab: FT-IR (Thermo Scientific Nicolet iS10), XRD (Bruker D2 Phaser), High Pressure Volumetric Analyzer (Micromeritics HPVA II), Chemisorption Analyzer (Micromeritics Auto Chem II), TGA, Glovebox


  • Interested in electronic and jazz music. Listen here
  • 3-D printing, microcontrollers, home automation, woodworking, diy, bouldering, yoga
  • Favorite Writers: Ray Kurzweil, Eric Drexler, Franz Kafka