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Curriculum Vitae

Education

PhD student in Chemical & Petroleum Engineering | Sep 2015 - January 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

Professional Experience

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 a custom part to improve speed and decrease material loss during production.
  • Process controller development (hardware and software) 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.

Research Experience

Graduate Research Assistant | Sep 2015 – Present

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.

Publications

6 - Gulsoy, Z., Sezginel, K. B., Uzun A., Keskin S., and Yildirim R. (2019). Analysis of CH4 uptake over MOFs using data mining tools. ACS Combinatorial Science. (featured on the front cover)

5 - Sezginel, K. B., Asinger P., Babaei H., and Wilmer C.E. (2018). Thermal transport in interpenetrated metal–organic frameworks. Chemistry of Materials. (featured on the front cover)

  1. Sezginel, K.B., Feng T., Wilmer, C.E. (2017). Discovery of hypothetical hetero-interpenetrated MOFs with arbitrarily dissimilar topologies and unit cell shapes. CrystEngComm. (featured on the front cover)

  2. Sezginel, K. B., Keskin, S., & Uzun, A. (2016). Tuning the gas separation performance of CuBTC by ionic liquid incorporation. Langmuir.

  3. Basdogan, Y., Sezginel, K. B., & Keskin, S. (2015). Identifying highly selective metal organic frameworks for CH4/H2 separations using computational tools. Industrial & Engineering Chemistry Research.

  4. Sezginel, K. B., Uzun, A., & Keskin, S. (2015). Multivariable linear models of structural parameters to predict methane uptake in metal–organic frameworks. Chemical Engineering Science.

Presentations (Oral)

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., 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.

Leadership 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

  • 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 (https://stacks.carnegielibrary.org/artists/kbs)

Skills

  • Language: English (Advanced) TOEFL iBT (110/120), Dutch (Beginner), Turkish (Native)
  • Graphics: Scientific visualization portfolio
  • Software: Python (Advanced), Javascript (Advanced), 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

Personal

  • Interested in electronic and jazz music. Listen here
  • Scientific visualization portfolio: https://kutaybs.com/visualization/portfolio
  • 3-D printing, microcontrollers, home automation, woodworking, climbing, camping
  • Favorite Writers: Ray Kurzweil, Eric Drexler, Franz Kafka

References

Christopher E. Wilmer (PhD Adviser)

Asst. Professor of Chemical and Petroleum Engineering, University of Pittsburgh
+1 (412) 624-9639, wilmer@pitt.edu

John A. Keith (Academic skills)

Asst. Professor of Chemical and Petroleum Engineering, University of Pittsburgh
+1 (412) 624-7016, jakeith@pitt.edu

Christopher Brown (Software skills)

Asst. Professor, School of Health and Rehabilitation Sciences, University of Pittsburgh
+1 (412) 383-6546, cbrown1@pitt.edu

Seda Keskin (MS Adviser)

Assoc. Professor of Chemical and Biological Engineering, Koc University, Istanbul, Turkey
+90 (212) 338-1362, skeskin@ku.edu.tr

Alper Uzun (MS Adviser)

Asst. Professor of Chemical and Biological Engineering, Koc University, Istanbul, Turkey
+90 (212) 338-1754, auzun@ku.edu.tr