List of works - Geoffrey R. Hutchison

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

scientific article published in 2012

BOKEI: Bayesian optimization using knowledge of correlated torsions and expected improvement for conformer generation

scientific article published on 01 March 2020

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

scientific article

Confab - Systematic generation of diverse low-energy conformers

scientific article (publication date: 16 March 2011)

De novo design of molecular wires with optimal properties for solar energy conversion

Efficient Computational Screening of Organic Polymer Photovoltaics

scientific article published on 29 April 2013

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 the DMcT-PEDOT composite cathodes to lithium/lithium ion batteries

scientific article published in December 2006

Fast, efficient fragment-based coordinate generation for Open Babel

scientific article published on 01 August 2019

Interplay among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids.

scientific article published on 16 October 2017

Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics

scientific article published on 13 December 2012

Open Babel: An open chemical toolbox

scientific article

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

scientific article published in 2011

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

scientific article

Ruthenium molecular wires with conjugated bridging ligands: onset of band formation in linear inorganic conjugated oligomers

scientific article published in February 2006

The Blue Obelisk-interoperability in chemical informatics

peer-reviewed research article

Tuning the Kondo effect with a mechanically controllable break junction.

scientific article published on 11 July 2007

Understanding Conformational Entropy in Small Molecules

scientific article published on 24 March 2021

List of works by Geoffrey R. Hutchison

Avogadro: an advanced semantic chemical editor, visualization, and analysis platform

BOKEI: Bayesian optimization using knowledge of correlated torsions and expected improvement for conformer generation

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

Confab - Systematic generation of diverse low-energy conformers

De novo design of molecular wires with optimal properties for solar energy conversion

Efficient Computational Screening of Organic Polymer Photovoltaics

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 the DMcT-PEDOT composite cathodes to lithium/lithium ion batteries

Fast, efficient fragment-based coordinate generation for Open Babel

Interplay among Sequence, Folding Propensity, and Bio-Piezoelectric Response in Short Peptides and Peptoids.

Monte Carlo Simulations of Charge Transport in 2D Organic Photovoltaics

Open Babel: An open chemical toolbox

Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years on

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Ruthenium molecular wires with conjugated bridging ligands: onset of band formation in linear inorganic conjugated oligomers

The Blue Obelisk-interoperability in chemical informatics

Tuning the Kondo effect with a mechanically controllable break junction.

Understanding Conformational Entropy in Small Molecules