Geoffrey Hutchison

Department of Chemistry, University of Pittsburgh
Ph.D., Chemistry, Northwestern University, 2004
Summary:

Our group develops new materials, as well as microscale and nanoscale functional devices literally from the bottom up. We focus on building electronic materials from molecular subunits, both organic and inorganic, using a variety of techniques to rationally design the desired properties. This encompasses chemical synthesis, characterization (both physical and chemical), combined with theoretical modeling and simulation.

Our group combines experimental and computational investigations to gain deep understanding of organic electronic materials.  The bottom line is to efficiently design novel molecular materials with improved properties.  Below are three areas we are currently studying in our lab.

1. Designer defects

2. Single-molecule piezoelectric springs

3. Organic solar cells

 

Students
Namesort descending Position Email
Christensen, Erin Undergraduate Student
Cole, Michael Undergraduate Student mtc52@pitt.edu
Kanal, Ilana Graduate Student iek2@pitt.edu
Marvin, Christopher Graduate Student cwm28@pitt.edu
Miller, Nathaniel Graduate Student ncm28@pitt.edu
Petroff, Christopher Graduate Student christopher.petroff@pitt.edu

Erin Christensen

Undergraduate Student


316 Eberly Hall, Pittsburgh PA, 15213

Affiliation:

Chemistry
University of Pittsburgh

Michael Cole

Undergraduate Student

mtc52@pitt.edu
316 Eberly Hall, Pittsburgh PA, 15213

Affiliation:

Chemistry
University of Pittsburgh

Ilana Kanal

Graduate Student

iek2@pitt.edu
219 Parkman Avenue, Pittsburgh PA, 15260

Affiliation:

Chemistry
University of Pittsburgh

Christopher Marvin

Graduate Student

cwm28@pitt.edu
219 Parkman Avenue, Pittsburgh PA, 15260

Affiliation:

Chemistry
University of Pittsburgh

Nathaniel Miller

Graduate Student

ncm28@pitt.edu
316 Eberly Hall, Pittsburgh PA, 15213

Affiliation:

Chemistry
University of Pittsburgh

Christopher Petroff

Graduate Student

christopher.petroff@pitt.edu
316 Eberly Hall, Pittsburgh PA, 15213

Affiliation:

Chemistry
University of Pittsburgh
Most Cited Publications
  1. "Open Babel: An open chemical toolbox," Noel M O'Boyle, Michael Banck, Craig A James, Chris Morley, Tim Vandermeersch and Geoffrey R Hutchison, Journal of Cheminformatics 3, 33 (2011)
  2. "Avogadro: an advanced semantic chemical editor, visualization, and analysis platform," Marcus D Hanwell, Donald E Curtis, David C Lonie, Tim Vandermeersch, Eva Zurek and Geoffrey R Hutchison, Journal of Cheminformatics 4, 17 (2012)
  3. "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," Antonio Facchetti, Myung-Han Yoon, Charlotte L. Stern, Geoffrey R. Hutchison, Mark A. Ratner, and Tobin J. Marks, J. Am. Chem. Soc., 126, 13480 (2004)
  4. "Hopping Transport in Conductive Heterocyclic Oligomers:  Reorganization Energies and Substituent Effects," Geoffrey R. Hutchison, Mark A. Ratner, and Tobin J. Marks, J. Am. Chem. Soc. 127, 2339 (2005)
  5. "The Blue Obelisk—Interoperability in Chemical Informatics," Rajarshi Guha, Michael T. Howard, Geoffrey R. Hutchison, Peter Murray-Rust, Henry Rzepa, Christoph Steinbeck, Jörg Wegner, and Egon L. Willighagen, J. Chem. Inf. Model. 46, 991 (2006)
Recent Publications
  1. Chan, Lucian, Geoffrey Hutchison, and Garrett Morris. "Bayesian Optimization for Conformer Generation." (2018).
  2. "Polarizable Drude Model with s-type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields," Mohammad Mehdi Ghahremanpour, Paul J. van Maaren, Carl Caleman, Geoffrey R. Hutchison, and David van der Spoel, ChemRxiv (2018).
  3. "A sobering assessment of small-molecule force field methods for low energy conformer predictions," IIana Y. Kanal, John A. Keith, Geoffrey R. Hutchison,International Journal of Quantum Chemistry (2017)
  4. "Interplay Among Sequence, Folding Propensity, and BioPiezoelectric Response in Short Peptides and Peptoids," Christopher W Marvin, Haley M. Grimm, Nathaniel C. Miller, W. Seth Horne, and Geoffrey R Hutchison, J. Phys. Chem. B (2017)
  5. "Self-Assembled Monolayer Piezoelectrics: Electric-Field Driven Conformational Changes," Xinfeng Quan, Jeffry D. Madura, Geoffrey R. HutchisonarXiv :1706/1706.08993. (2017)
  6. "Inverse Design of Conjugated Polymers from Computed Electronic Structure Properties: Model Chemistries of Polythiophenes," Ilana Y. Kanal, Steven G. Owens, Andrey B. Sharapov, Geoffrey R. Hutchisonarxiv:1706/1706.10243 (2017)
  7. "Developing a Molecular Theory of Electromechanical Responses," Keith A. Werling, Geoffrey R. Hutchison, Daniel S. Lambrecht, arXiv:1707.07464 (2017)

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