Curriculum Vitae

Ian M. Pendleton Ph. D.
Vertex Pharmaceuticals Incorporated
Data and Computational Sciences
Phone: (313) 365–0270
ian ~at~


To build human intuition about chemistry through the application of computational molecular simulation, machine learning, and dataset visualization.


Research Scientist I, Vertex Pharmaceuticals Incorporated

  • June 2020 – Current
  • Manager: Rajarshi Guha, Ph.D.


Cheminformatics Postdoctoral Fellowship, Haverford College, Haverford, PA

  • May 2018 – June 2020
  • Advisors: Professor Joshua Schrier and Professor Alex Norquist
  • Led and organized a materials discovery campaign across six research institutions involving upwards of fifteen research scientists as part of an ongoing DARPA consortium
  • Development and maintenance of a data capture and reporting pipeline for machine learning in materials chemistry.
    • Code base and datasets in use by three experimental research labs and over fifteen data scientists distributed across six institutions
    • Creator of a multiuser python code base for capturing experimental data workflows (see ‘Maintained Repositories’) across remote locations (API interaction, interface design, etc.)
  • Development of automated pipelines using existing cheminformatics tools to report physicochemical descriptors to machine learning models
    • Bridged experimental workflows with ChemAxon, RDkit, and OpenBabel
    • Application of Scikit-learn and Plotly (python visualization package) for dataset interrogation

Ph.D., Organic Chemistry, University of Michigan, Ann Arbor, MI, 2018.

  • Advisors: Prof. Paul Zimmerman and Prof. Melanie Sanford
  • Thesis title: “Computational Chemistry Studies of Organometallic Energy Landscapes”
    • Computational investigation of C(sp3)-N, C(sp2)-C(sp3), C(sp3)-F reductive elimination from Pd(IV)
    • Computational chemistry investigations of quantitative structure activity relationship of cobalt catalysts using QChem and Orca for QM calculations and Python (SciKit-Learn, OpenBabel), Unix, PBS, and SLURM for feature development

B.S., Professional Biochemistry, Magna Cum Laude with Highest Honors, Eastern Michigan University, MI, (GPA 3.81/4.00), 2012

  • Advisor: Prof. Harriet Lindsay
  • Thesis title: “Optimization of the aza-Cope Mannich cyclization reaction of conformationally mobile acylpyrrolidines”


Google Scholar Profile


Additional publications:



Karle Symposium Dow Sponsored Travel Award in Inorganic Chemistry, 2016
Vaughn Symposium Sponsored Travel Award in Organic Chemistry, 2013
National Science Foundation Graduate Research Fellowship, 2013
Rackham Merit Fellowship, University of Michigan Rackham Graduate School, 2012
Division of Organic Chemistry Summer Undergraduate Research Fellowship (Pfizer Sponsored DOC SURF award), 2011
ACS Division of Organic Chemistry Sponsored Travel Award for Outstanding Undergraduate Students, 2012
Eastern Michigan University Honors College Undergraduate Research Fellowship, 2010-2012

Eastern Michigan University Awards:
Peet-Mayor Endowed Chemistry Award, 2012
Biochemistry Chemistry Achievement Award, 2012
Decoster, M “Pete” Endowed Scholarship, 2011
Collin’s Endowed Scholarship, 2010
Elwood J. Kureth Scholarship, 2010
Sandra J. Lobbestael chemistry endowed scholarship for outstanding chemistry major, 2009
Huron Valley Publishing Scholarship, 2009
● CRC Press Freshman Chemistry Achievement, 2009
● 25th Anniversary Undergraduate Scholarship, 2011
EMU Undergraduate Research Symposium Fellow, (Fall 2008 – Winter 2012)
● Honors Senior Thesis Award, 2012
● Honors College Undergraduate Research Fellowship, (Fall 2010-Fall 2012)
● College of Arts and Sciences (CAS) Dean’s Travel Award, 2011
Warren Scholarship, 2011


FFGSI (Future Faculty Graduate Student Instructor) for statistical mechanics and thermodynamics , Winter 2017
ACS Science Coaches Program, 2012-present
Chemistry Professional Development Organization (CPDO) Member, 2012-present
Undergraduate Mentoring through UROP 2013-2015
Washtenaw Elementary Science Olympiad Coach 2016
President of EMU Chemistry Club ACS Student Chapter, 2010-2012
● Science Fair Judging Morceni High School 2014

Please contact me at ian ~at~ for additional information or references.