Geoffrey R Hutchison

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Venues

Journal of chemical theory and computation

Physical chemistry chemical physics : PCCP

Journal of chemical information and modeling

The journal of physical chemistry. A

University of Pittsburgh

Northwestern University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Pittsburgh Sep 01 2013

United States

Associate Professor :: Department of Chemistry

University of Pittsburgh Sep 01 2007 - Aug 31 2013

United States

Assistant Professor :: Department of Chemistry

Cornell University

United States

Postdoctoral Associate :: Chemistry

Education History

Northwestern University

United States

PHD :: Chemistry

Publications

Omri D Abarbanel, Geoffrey R Hutchison
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-p K a Predictions. Journal of chemical theory and computation 20 (15) (2024)
Omri D Abarbanel, Geoffrey R Hutchison
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-p K a Predictions. Journal of chemical theory and computation 20 (15) (2024)
Omri D Abarbanel, Geoffrey R Hutchison
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-p K a Predictions. Journal of chemical theory and computation 20 (15) (2024)
Omri D Abarbanel, Geoffrey R Hutchison
QupKake: Integrating Machine Learning and Quantum Chemistry for Micro-p K a Predictions. Journal of chemical theory and computation (2024)
Andrew T McNutt, Fatimah Bisiriyu, Sophia Song, Ananya Vyas, Geoffrey R Hutchison, David Ryan Koes
Conformer Generation for Structure-Based Drug Design: How Many and How Good? Journal of chemical information and modeling (2023)
Omri D Abarbanel, Geoffrey R Hutchison
Using genetic algorithms to discover novel ground-state triplet conjugated polymers. Physical chemistry chemical physics : PCCP (2023)
Dakota L Folmsbee, David Ryan Koes, Geoffrey R Hutchison
Systematic Comparison of Experimental Crystallographic Geometries and Gas-Phase Computed Conformers for Torsion Preferences. Journal of chemical information and modeling (2023)
Brianna L Greenstein, Geoffrey R Hutchison
Organic Photovoltaic Efficiency Predictor: Data-Driven Models for Non-Fullerene Acceptor Organic Solar Cells. The journal of physical chemistry letters 13 (19) (2022)
Omri D Abarbanel, Julisa Rozon, Geoffrey R Hutchison
Strategies for Computer-Aided Discovery of Novel Open-Shell Polymers. The journal of physical chemistry letters 13 (9) (2022)
Danielle C Hiener, Dakota L Folmsbee, Luke A Langkamp, Geoffrey R Hutchison
Evaluating fast methods for static polarizabilities on extended conjugated oligomers. Physical chemistry chemical physics : PCCP 24 (38) (2022)
Danielle C Hiener, Geoffrey R Hutchison
Pareto Optimization of Oligomer Polarizability and Dipole Moment Using a Genetic Algorithm. The journal of physical chemistry. A 126 (17) (2022)
Dakota L Folmsbee, David Ryan Koes, Geoffrey R Hutchison
Evaluation of Thermochemical Machine Learning for Potential Energy Curves and Geometry Optimization. The journal of physical chemistry. A 125 (9) (2021)
Matthew K Matlock, Max Hoffman, Na Le Dang, Dakota L Folmsbee, Luke A Langkamp, Geoffrey R Hutchison, Neeraj Kumar, Kathryn Sarullo, S Joshua Swamidass
Deep Learning Coordinate-Free Quantum Chemistry. The journal of physical chemistry. A 125 (40) (2021)
Lucian Chan, Garrett M Morris, Geoffrey R Hutchison
Understanding Conformational Entropy in Small Molecules. Journal of chemical theory and computation 17 (4) (2021)
Lucian Chan, Geoffrey R Hutchison, Garrett M Morris
Understanding Ring Puckering in Small Molecules and Cyclic Peptides. Journal of chemical information and modeling 61 (2) (2021)
Lucian Chan, Geoffrey R Hutchison, Garrett M Morris
BOKEI: Bayesian optimization using knowledge of correlated torsions and expected improvement for conformer generation. Physical chemistry chemical physics : PCCP 22 (9) (2020)
Naruki Yoshikawa, Geoffrey R Hutchison
Fast, efficient fragment-based coordinate generation for Open Babel. Journal of cheminformatics 11 (1) (2019)
Nathaniel C Miller, Haley M Grimm, W Seth Horne, Geoffrey R Hutchison
Accurate electromechanical characterization of soft molecular monolayers using piezo force microscopy. Nanoscale advances 1 (12) (2019)
Mohammad Mehdi Ghahremanpour, Paul J van Maaren, Carl Caleman, Geoffrey R Hutchison, David van der Spoel
Polarizable Drude Model with s-Type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields. Journal of chemical theory and computation 14 (11) (2018)
Christopher W Marvin, Haley M Grimm, Nathaniel C Miller, W Seth Horne, Geoffrey R Hutchison
Interplay among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids. The journal of physical chemistry. B 121 (44) (2017)

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Publication Activity (10 Years)

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Geoffrey R Hutchison