Associate Professor, University of Pittsburgh Department of Chemistry 316 Eberly Hall Pittsburgh, Pennsylvania, 15206 Email: geoffh@pitt.edu Phone: 412-648-0492

Education / Research:

Honors:

Independent Publications (at Pitt):

Submitted:

  1. Andrey B. Sharapov, Geoffrey R. Hutchison. “Fast Treatment of Noncovalent Packing using Dispersion-Corrected Harris Approximate Density Functional Theory.” https://doi.org/10.26434/chemrxiv.5313478.v1
  2. Xinfeng Quan, Jeffry D. Madura, Geoffrey R. Hutchison. “Self-Assembled Molecular Monolayer Piezoelectrics Using Oligopeptides.” arXiv: 1706.08993
  3. KA Werling, GR Hutchison, DS Lambrecht. “Developing a Molecular Theory of Electromechanical Responses” arXiv:1707.07464
  4. Xinfeng Quan, Geoffrey R. Hutchison “Single Molecule Ferroelectrics via Conformational Inversion: An Electronic Structure Investigation.” arXiv: 1705.09699
  5. Ilana Y. Kanal, Steven G. Owens, Andrey B. Sharapov, Geoffrey R. Hutchison “Inverse Design of Conjugated Polymers from Computed Electronic Structure Properties: Model Chemistries of Polythiophenes.” arXiv: 1706.10243

2017:

  1. Kanal IY, Keith JA, Hutchison GR. “A sobering assessment of small-molecule force field methods for low energy conformer predictions.” Int J Quantum Chem. 2017. Online
  2. Christopher W Marvin, Haley M. Grimm, Nathaniel C. Miller, W. Seth Horne, and Geoffrey R Hutchison. “Interplay Among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids” J. Phys. Chem. B. 2017 121 (44), pp 10269–10275. Online
  3. Shaopeng Zhang, Nicole E. Bauer, Ilana Y. Kanal, Wei You, Geoffrey R. Hutchison, and Tara Y. Meyer. “Sequence Effects in Donor–Acceptor Oligomeric Semiconductors Comprising Benzothiadiazole and Phenylenevinylene Monomers” Macromolecules 2017 50 (1), 151-161 Online

2016:

  1. M. J. Moody, C. W. Marvin and G. R. Hutchison. “Molecularly-doped polyurethane foams with massive piezoelectric response” J. Mater. Chem. C, 2016, 4, 4387-4392. Online
  2. Zhang, S., Hutchison, G. R. and Meyer, T. Y. “Sequence Effects in Conjugated Donor–Acceptor Trimers and Polymers.” Macromol. Rapid Commun., 2016 37: 882–887. Online

2015:

  1. Gagorik, A. G., Mohin, J. W., Kowalewski, T. and Hutchison, G. R. “Effects of Delocalized Charge Carriers in Organic Solar Cells: Predicting Nanoscale Device Performance from Morphology.” Adv. Funct. Mater., 2015 25, 1996–2003. Online

2014:

  1. Iana Y. Kanal, Jonathon S Bechtel, Geoffrey R Hutchison. “Sequence Matters: Determining the Sequence Effect of Electronic Structure Properties in π-Conjugated Polymers” in Sequence-Controlled Polymers: Synthesis, Self-Assembly, and Properties, pp. 379-393. Online
  2. KA Werling, M Griffin, GR Hutchison, DS Lambrecht. “Piezoelectric Hydrogen Bonding: Computational Screening for a Design Rationale.” J. Phys. Chem. A 2014 118 (35), 7404-7410. Online

2013:

  1. Paula B. Hoffmann, Adam G. Gagorik, Xialing Chen, Geoffrey R. Hutchison. “Asymmetric Surface Potential Energy Distributions in Organic Electronic Materials via Kelvin Probe Force Microscopy.” J. Phys. Chem. C 2013 117 (36), pp 18367–18374. Online
  2. Xinfeng Quan, Christopher W. Marvin, Leah Seebald, Geoffrey R. Hutchison. “Single-Molecule Piezoelectric Deformation: Rational Design from First-Principals Calculations.” J. Phys. Chem. C 2013 117 (33), pp 16783–16790. Online
  3. Ma. Helen Cativo, Amanda Kamps, Jian Gao, John Grey, Geoffrey R. Hutchison, So-Jung Park. “Oxidation-Induced Photoluminescence of Conjugated Polymers.” J. Phys. Chem. B 2013 117(16) 4528–4535. (Paul Barbara special issue) Online (Free)
  4. Ilana Y. Kanal, Steven G. Owens, Jonathon S. Bechtel, Geoffrey R. Hutchison. “Efficient Computational Screening of Organic Polymer Photovoltaics.” J. Phys. Chem. Lett. 2013 4(10) 1613–1623. Invited Perspective. Online (Free).
  5. Keith A. Werling, Geoffrey R. Hutchison, Daniel S. Lambrecht. “Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First Principles Electronic Structure Investigation of Weak Electrostatic Interactions.” J. Phys. Chem. Lett. 2013 4(9) 1365–1370. Online (Free)
  6. Benjamin N. Norris, Shaopeng Zhang, Casey M. Campbell, Jeffrey T. Auletta, Percy Calvo-Marzal, Geoffrey R. Hutchison, Tara Y Meyer. “Sequence Matters: Modulating Electronic and Optical Properties of Conjugated Oligomers via Tailored Sequence.” Macromolecules 2013 46(4) 1384-1392. Online (Free)
  7. Adam G. Gagorik, Jacob W. Mohin, Tomasz Kowalewski, Geoffrey R. Hutchison. “Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics.” J. Phys. Chem. Lett 2013 4(1) 36-42. Online (Free)

2012:

  1. Adam G. Gagorik, Geoffrey R. Hutchison. “Simulating Charge Injection and Dynamics in Micro-Scale Organic Field-Effect Transistors.” J. Phys. Chem. C 2012 116 (40) 21232–21239. Online (Free)
  2. Hai-Jing Nie, Xialing Chen, Chang-Jian Yao, Yu-Wu Zhong, Geoffrey R. Hutchison, and Jiannian Yao. “Electronic Copuling between Two Amine Redox Sites through the 5,5’-Positions of Metal-Chelated 2,2’-Bipyridines.” Chem. Eur. J. 2012 18 (45) 14497–14509. Online
  3. Marcus D. Hanwell, Donald E. Curtis, David Lonie, Tim Vandermeersch, Eva Zurek, Geoffrey R. Hutchison. “Avogadro: An Advanced Semantic Chemical Editor, Visualization, and Analysis Platform.” J. Cheminf. 2012 4:17. Open Access
  4. Tamika A. Madison, Adam G. Gagorik, Geoffrey R. Hutchison.“Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Charge Traps.” J. Phys. Chem. C 2012 116(22)11852-11858. Online (Free)

2011:

  1. Tamika A. Madison, Geoffrey R. Hutchison.”Effects of Charge Localization on the Orbital Energies of Bithophene Clusters.” J. Phys. Chem. C 2011 115(35) 17558-17563. Online (Free)
  2. Noel M O’Boyle, Rajarshi Guha, Egon L Willighagen, Samuel E Adams, Jonathan Alvarsson, Jean-Claude Bradley, Igor V Filippov, Robert M Hanson, Marcus D Hanwell, Geoffrey R Hutchison, Craig A James, Nina Jeliazkova, Andrew SID Lang, Karol M Langner, David C Lonie, Daniel M Lowe, Jérôme Pansanel, Dmitry Pavlov, Ola Spjuth, Christoph Steinbeck, Adam L Tenderholt, Kevin J Theisen, Peter Murray-Rust. “Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on.” J. Cheminf. 2011 3:37. Open Access
  3. Geoffrey R. Hutchison, Michael Banck, Craig A. James, Chris Morley, Noel M. O’Boyle, Timothy Vandermeersch. “Open Babel: An Open Chemical Toolbox.” J. Cheminf. 2011 3:33. Open Acces
  4. Noel M. O’Boyle, Tim Vandermeersch, Christopher J. Flynn, Anita R. Maguire, Geoffrey R. Hutchison. “Confab – Systematic generation of diverse low-energy conformers.” J. Cheminf. 2011 3:8. Open Access
  5. Noel M. O’Boyle, Casey M. Campbell, Geoffrey R. Hutchison. “Computational Design and Selection of Optimal Organic Photovoltaic Materials.” J. Phys. Chem. C 2011 115(32) 16200-16210. Online (Free)

2010:

  1. Marcus D. Hanwell, Tamika A. Madison, Geoffrey R. Hutchison. “Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics.” J. Phys. Chem. C 2010 114(48) 20417-20423. Online (Free)

2008:

  1. Noel M. O’Boyle, Chris Morley, Geoffrey R. Hutchison. “Cinfony – Combining Open Source cheminformatics toolkits behind a common interface.” Chem. Central J. 2008 2:24. Open Access
  2. Noel M. O’Boyle, Chris Morley, Geoffrey R. Hutchison. “Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit.” Chem. Central J. 2008 2:5. Open Access
  3. Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Jörg Wegner, Egon Willighagen. “The Blue Obelisk—Interoperability in Chemical Informatics.” J. Chem. Inf. Model. 2006 46(3) 991–998. Online

Prior Publications (Northwestern, Cornell, 21 total):

2008-2006 (Cornell):

  1. Yasuyuki Kiya, Jay C. Henderson, Geoffrey R. Hutchison, Héctor D. Abruña. “5,5′-Bis(methylthio)-2,2′-bithiophene: A Potential Cathode Electroactive Material for Energy Storage Devices.” J. Phys. Chem. C 2008 112(10) 3989-3997. Online
  2. Héctor D. Abruña, Futoshi Matsumoto, Jamie L. Cohen, Jing Jin, Chandrani Roychowdhury, Mark Prochaska, Bruce R. van Dover, Frank J. DiSalvo, Yasuyuki Kiya, Jay C. Henderson, Geoffrey R. Hutchison. “Electrochemical Energy Generation and Storage. Fuel Cells and Lithium-Ion Batteries.” Bull. Chem. Soc. Jap. 2007 80(10) 1843–1855. Online
  3. Yasuyuki Kiya, Jay C. Henderson, Geoffrey R. Hutchison, Héctor D. Abruña. “Synthesis, Computational and Electrochemical Characterization of a Family of Functionalized Dimercaptothiophenes for Potential Use as High-Energy Cathode Materials for Lithium/Lithium-Ion Polymer Batteries.” J. Mater. Chem. 2007 17(41) 4366–4376. Online
  4. J. J. Parks, A. R. Champagne, G. R. Hutchison, S. Flores-Torres, H. D. Abruña, D. C. Ralph. “Tuning the Kondo Effect With a Mechanically Controllable Break Junction.” Phys. Rev. Lett. 2007 99 026601. Online
  5. Yasuyuki Kiya, Geoffrey R. Hutchison, Jay C. Henderson, Tomoo Sarukawa, Osamu Hatozaki, Noboru Oyama, Héctor D. Abruña. “Elucidation of the Redox Behavior of 2,5-Dimercapto-1,3,4-thiadiazole (DMcT) at Poly(3,4-ethylenedioxythiophene) (PEDOT) Modified Electrodes and Application of DMcT-PEDOT Composite Cathodes to Lithium/Lithium-Ion Batteries.” Langmuir. 2006 22(25) 10554–10563. Online
  6. Yasuyuki Kiya, Jay C. Henderson, Geoffrey R. Hutchison, Héctor D. Abruña. “Electroactive Sulfur-Containing Polymers for Lithium/Lithium-Ion Applications using Conducting Polymer Electrocatalysis.” Polym. Mater. Sci. Eng. 2006 95 858–859.
  7. Samuel Flores-Torres, Geoffrey R. Hutchison, Leonard J. Soltzberg, Héctor D. Abruña. “Molecular Wires of [Run(tppz)n+1]2n+: Onset of Band Formation in Inorganic Conjugated Oligomers.” J. Am. Chem. Soc. 2006 128(5) 1513–1522. Online

2001-2005 (Northwestern):

  1. Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks, “Intermolecular Charge Transfer Between Heterocyclic Oligomers. Effects of Heteroatom and Molecular Packing on Hopping Transport.” J. Am. Chem. Soc. 2005 127(48) 16866–16881. Online
  2. Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks. “Hopping Transport in Conductive Heterocyclic Oligomers. Reorganization Energies and Substituent Effects.” J. Am. Chem. Soc. 2005 127(7) 2339–2350. Online
  3. Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks. “Electronic Structure and Band Gaps in Cationic Heterocyclic Oligomers. Multidimensional Analysis of the Interplay of Heteroatoms, Substituent, Molecular Length and Charge.” J. Phys. Chem. B 2005 109(8) 3126–3138. Online
  4. Antonio Facchetti, Geoffrey R. Hutchison, Shahar Keinan, Mark A. Ratner, “Control Mechanisms for Transport and Nonlinear Optical Response in Organic Materials: A Tale of Twists and Barriers.” Inorg. Chim. Acta. 2004 357(13) 3980–3990. Online
  5. Antonio Facchetti, Geoffrey R. Hutchison, Myung-Han Yoon, Joseph Letizia, Mark A. Ratner, Tobin J. Marks, “Strategies for N-Type Molecular and Polymeric Electrical Conductors. Design, Synthesis, and Characterization.” Polym. Preprints 2004 45 185.
  6. Antonio Facchetti, Melissa Mushrush, Myung-Han Yoon, Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks, “Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- Versus Alkyl-Functionalized Oligothiophenes (nT; n = 2–6). Systematics of Thin Film Microstructure, Semiconductor Performance, and Modeling of Charge Injection in Field-Effect Transistors.” J. Am. Chem. Soc. 2004 126(42) 13859–13874. Online
  7. Antonio Facchetti, Myung-Han Yoon, Geoffrey R. Hutchison, Charlotte L. Stern, Mark A. Ratner, Tobin J. Marks, “Building Blocks for N-Type Molecular and Polymeric Electronics. Perfluoroalkyl- Versus Alkyl-Functionalized Oligothiophenes nTs (n = 2–6). Systematic Synthesis, Spectroscopy, Electrochemistry, and Solid-State Organization.” J. Am. Chem. Soc. 2004 126(41) 13480–13501. Online
  8. G. R. Hutchison, Yu-Jun Zhao, B. Delley, A. J. Freeman, M. A. Ratner, T. J. Marks, “Electronic Structure of Conducting Polymers: Limitations of Oligomer Extrapolation and Effects of Heteroatoms.” Phys. Rev. B 2003 68(3) 035204. Online
  9. Yuri A. Berlin, Geoffrey R. Hutchison, Pawel Rempala, Mark A. Ratner, Josef Michl, “Charge Hopping in Molecular Wires as a Sequence of Electron Transfer Reactions.” J. Phys. Chem. A 2003 107(19) 3970–3980. Online
  10. Ji Cui, Qinglan Huang, Jonathan C. G. Veinot, He Yan, Qingwu Wang, Geoffrey R. Hutchison, Andrew G. Richter, Guennadi Evmenenko, Pulak Dutta, Tobin J. Marks, “Anode Interfacial Engineering Approaches to Enhancing Anode/Hole Transport Layer Interfacial Stability and Charge Injection Efficiency in Organic Light-Emitting Diodes.” Langmuir 2002 18(25) 9958–9970. Online
  11. Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks, “Accurate Prediction of Band Gaps in Neutral Heterocylic Conjugated Polymers.” J. Phys. Chem. A 2002 106(44) 10596–10605. Online
  12. Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks, “Towards a Reliable Methodology for Predicting Bandgaps in Conducting Polymers.” Polym. Mater. Sci. Eng. 2001 85 609–610.
  13. Geoffrey R. Hutchison, Mark A. Ratner, Tobin J. Marks, R. Naaman, “Adsorption of Polar Molecules on a Molecular Surface.” J. Phys. Chem. B 2001 105(15) 2881–2884. Online

2000 (Williams):

  1. Leo L. Tsai, Geoffrey R. Hutchison, Enrique Peacock-Lopez, “Turing Patterns in a Self-Replicating Mechanism with a Self-Complementary Template.” J. Chem. Phys. 2000 113(5) 2003–2006. Online