The Hutchison Group is currently accepting new graduate students. Apply here.
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.
Single-Molecule Springs and Nanoscale Piezoelectric Materials
Piezoelectric materials rapidly deform in response to an applied electric field and are one class of a wide variety of shape-deformable smart materials. They are both high-tech and low-tech, finding applications as airbag impact sensors, sonar transducers, and nanoscale positioning of scanning probe microscopy tips.
We are developing a range of novel single-molecule “springs” which show high piezoelectric deformation and point to new directions in shape-deformable materials. These systems also reveal insight into weak electrostatic interactions and conformational changes involved in crystallization and protein folding.
Designer Defects: Nanoscale Functional Transistors
Organic conducting and semiconducting materials offer alternatives to conventional solid-state electronics, including unique processability and tailorability using conventional chemical synthesis. Their disordered structure, however, makes many standard analytical techniques difficult. For example, characterization of traps and defects in standard organic semiconductors can be extremely difficult, so their role is unknown.
Our group is developing model nanoscale transistors which allow carefully tailored introduction of known defects. We combine detailed electronic and electrochemical studies of monolayer transistors, synthesis of new semiconducting inorganic complexes, and molecular-level simulation of charge transport. This combination gives insight into the role of defects in transport, with the goal of developing improved semiconducting and conducting electronic materials.
- Cottrell Scholar Award, 2012
- Class of 1960 Lecturer, Williams College, 2012
- Blue Obelisk Award in Cheminformatics, 2006
- IBM Computational Chemistry Award of the American Chemical Society, 2002
- Northwestern University Materials Research Center Fellowship, 2001-2003
“QupKake: Integrating Machine Learning and Quantum Chemistry for micro-pKa Predictions,” Omri D. Abarbanel, Geoffrey R. Hutchison J. Chem. Theory Comp. 2024
“Conformer Generation for Structure-Based Drug Design: How Many and How Good?,” Andrew T. McNutt, Fatimah Bisiriyu, Sophia Song, Ananya Vyas, Geoffrey R. Hutchison*, and David Ryan Koes* J. Chem. Inf. Model. 2023, 63, 6598-6607
“Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences,” Dakota L. Folmsbee, David R. Koes, Geoffrey R. Hutchison* J. Chem. Inf. Model. 2023, 63, 7401-7411
“Determining best practices for using genetic algorithms in molecular discovery,” Brianna L. Greenstein, Danielle C. Elsey, Geoffrey R. Hutchison J. Chem. Phys. 2023, 159, 091501
“Using genetic algorithms to discover novel ground-state triplet conjugated polymers,” Omri Abarbanel, Geoffrey R. Hutchison Phys. Chem. Chem. Phys. 2023, 25, 11278 - 11285
“Screening Efficient Tandem Organic Solar Cells with Machine Learning and Genetic Algorithms,” Brianna L. Greenstein and Geoffrey R. Hutchison J. Phys. Chem. C. 2023, 127 13, 6179 - 6191
“Evaluating Fast Methods for Static Polarizabilities on Extended Conjugated Oligomers,” Danielle Hiener, Dakota Folsmbee, Luke Langkamp, Geoffrey R. Hutchison Phys. Chem. Chem. Phys. 2022, 24, 23173 - 23181
“Computational evolution of high-performing unfused non-fullerene acceptors for organic solar cells,” Brianna L. Greenstein, Danielle C. Hiener, and Geoffrey R. Hutchison J. Chem. Phys. 2022, 156, 174107
“Organic Photovoltaic Efficiency Predictor: Data-Driven Predictions of Power Conversion Efficiencies of Non-Fullerene Acceptor Organic Solar Cells,” Brianna Greenstein, Geoffrey R. Hutchison J. Phys. Chem. Lett. 2022, 13 19, 4235 - 4243
“Pareto Optimization of Oligomer Polarizability and Dipole Moment using a Genetic Algorithm,” Danielle Hiener, Geoffrey R. Hutchison J. Phys. Chem. A 2022, 126 17, 2750 - 2760
“Strategies for Computer-Aided Discovery of Novel Open-Shell Polymers,” Omri Abarbanel, Julisa Rozon, Geoffrey R. Hutchison J. Phys. Chem. Lett. 2022, 13 9, 2158 - 2164
“Deep learning coordinate-free quantum chemistry,” Matthew K Matlock, Max Hoffman, Na Le Dang, Dakota L. Folmsbee, Luke A. Langkamp, Geoffrey R. Hutchison, Neeraj Kumar, and S. Joshua Swamidass J. Phys. Chem. A 2021, 125 40, 8978 - 8986
“Machine learning to accelerate screening for Marcus reorganization energies,” Omri D. Abarbanel, Geoffrey R. Hutchison J. Chem. Phys. 2021, 155 5, 054106
“Integrating Python into an Undergraduate Mathematics for Chemists Course,” Geoffrey R. Hutchison Teaching Programming across the Chemistry Curriculum 2021, 9 1387, 123 - 134
“Understanding Conformational Entropy in Small Molecules,” Leung Sing Chan, Garrett Morris, Geoffrey R. Hutchison J. Chem. Theory Comput. 2021, 14 4, 2099 - 2106
“Evaluation of Thermochemical Machine Learning for Potential Energy Curves and Geometry Optimization,” Dakota L. Folmsbee, David R. Koes, Geoffrey R. Hutchison J. Phys. Chem. A 2021, 125 9, 1987 - 1993
“Understanding Ring Puckering in Small Molecules and Cyclic Peptides,” Leung Sing Chan, Geoffrey R. Hutchison, Garrett Morris J. Chem. Inf. Model. 2021, 61 2, 743 - 755
“Assessing conformer energies using electronic structure and machine learning methods,” Dakota Folmsbee, Geoffrey R. Hutchison Int. J. Quantum Chem. 2020, 122, e26381
“BOKEI Bayesian Optimization Using Knowledge of Correlated Torsions and Expected Improvement for Conformer Generation,” Leung Sing Chan, Geoffrey R. Hutchison, Garrett Morris Phys. Chem. Chem. Phys. 2020, 22 9, 5211 - 5219
“Accurate Electromechanical Characterization of Soft Molecular Monolayers using Piezo Force Microscopy,” Nathaniel C. Miller, Haley Grimm, W. Seth Horne, Geoffrey R. Hutchison Nanoscale Adv. 2019, 1, 4834 - 4843
“Highly Tunable Molecularly Doped Flexible Poly(dimethylsiloxane) Foam Piezoelectric Energy Harvesters,” Christopher A Petroff, Thomas F Bina and Geoffrey R Hutchison ACS Appl. Energy Mater. 2019, 2 9, 6484 - 6489
“Fast, efficient fragment-based coordinate generation for Open Babel,” Naruki Yoshikawa, Geoffrey R. Hutchison Cheminf. 2019, 11 49, 2019
“Bayesian optimization for conformer generation,” Lucian Chan, Garrett Morris, Geoffrey R. Hutchison J. Cheminf. 2019, 11 32
“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, David Van der Spoel J. Chem. Theory Comp. 2018, 14 11, 5553 - 5566
“A sobering assessment of small molecule force field methods for low energy conformer predictions,” Ilana Y. Kanal, John A. Keith, Geoffrey R Hutchison Int. J. Quant. Chem. 2018, 118 5, e25512
“Sequence Effects in Donor–Acceptor Oligomeric Semiconductors Comprising Benzothiadiazole and Phenylenevinylene Monomers,” Zhang S, Bauer NE, Kanal IY, You W, Hutchison GR, Meyer TY Macromolecules 2017, 50, 151
“Interplay among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids,” Christopher W Marvin, Haley M Grimm, Nathaniel C Miller, W Seth Horne, Geoffrey R Hutchison J. Phys. Chem. B 2017, 121 44, 10269 - 10275
“Molecularly-doped polyurethane foams with massive piezoelectric response,” Michael J. Moody, Christopher W. Marvin and Geoffrey R Hutchison J. Mater. Chem. C 2016, 4 20, 4387 - 4392
“Sequence Effects in Conjugated Donor–Acceptor Trimers and Polymers,” Zhang S, Hutchison GR, Meyer TY Macromol. Rapid Commun. 2016, 37, 882
“Effects of Delocalized Charge Carriers in Organic Solar Cells: Predicting Nanoscale Device Performance from Morphology,” Adam G. Gagorik, Jacob W. Mohin, Tomasz Kowalewski and Geoffrey R. Hutchison Advanced Functional Materials 2015, 25, 1996 - 2003
“Sequence Matters: Determining the Sequence Effect of Electronic Structure Properties in π-Conjugated Polymers,” Ilana Y. Kanal, Jonathon S. Bechtel, Geoffrey R. Hutchison ACS Symposium Series 2014, 1170, 379 - 393
“Piezoelectric hydrogen bonding: computational screening for a design rationale,” Keith A. Werling, Maryanne Griffin, Geoffrey R. Hutchison, Daniel S. Lambrecht J. Phys. Chem. A. 2014, 118 35, 7404 - 7410
“Efficient Computational Screening of Organic Polymer Photovoltaics,” I.Y. Kanal, S.G. Owens, J.S. Bechtel, G.R. Hutchison J. Phys. Chem. Lett. 2013, 4, 1613-1623
“Piezoelectric Effects of Applied Electric Fields on Hydrogen-Bond Interactions: First Principles Electronic Structure Investigation of Weak Electrostatic Interactions,” K.A. Werling, G.R. Hutchison, D.S. Lambrecht J. Phys. Chem. Lett. 2013, 4, 1365-1370
“Sequence Matters: Modulating Electronic and Optical Properties of Conjugated Oligomers via Tailored Sequence,” B.N. Norris, S. Zhang, C.M. Campbell, J.T. Auletta, P. Calvo-Marzal, G.R. Hutchison, T.Y. Meyer Macromolecules 2013, 46, 1384-1392
“Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics,” A.G. Gagorik, J.W. Mohin, T. Kowalewski, G.R. Hutchison J. Phys. Chem. Lett 2013, 4, 36-42
“Simulating Charge Injection and Dynamics in Micro-Scale Organic Field-Effect Transistors,” A.G. Gagorik, G.R. Hutchison J. Phys. Chem. C 2012, 116, 21232-21239
“Avogadro: An Advanced Semantic Chemical Editor, Visualization, and Analysis Platform,” M.D. Hanwell, D.E. Curtis, D. Lonie, T. Vandermeersch, E. Zurek, G.R. Hutchison J. Cheminf. 2012, 4, 1-17
“Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics,” M.D. Hanwell, T.A. Madison, and G.R. Hutchison J. Phys.Chem. C 2010, 114, 20417-20423
“Open Babel: An Open Chemical Toolbox.,” Geoffrey R. Hutchison, Michael Banck, Craig A. James, Chris Morley, Noel M. O’Boyle, Timothy Vandermeersch J. Cheminf 2011, 3, 33
“Effects of Charge Localization on the Orbital Energies of Bithiophene Clusters,” T.A. Madison, and G.R. Hutchison J. Phys.Chem. C 2011, 115, 17558-17563
“Computational Design and Selection of Optimal Organic Photovoltaic Materials,” N.M. O'Boyle, C.M. Campbell, and G.R. Hutchison J. Phys.Chem. C 2011, 115, 16200-16210
“Charge Transport in Imperfect Organic Field Effect Transistors: Effects of Explicit Defects and Electrostatics,” M.D. Hanwell, T.A. Madison, and G.R. Hutchison J. Phys.Chem. C 2010, 114, 20417-20423
