A Modified Szilard's Engine: Measurement, Information, and Maxwell's Demon. - Michael Devereux (Entropy, 2004)

Toward an ab initio fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment. - Michael Devereux; Paul L. A. Popelier; Iain M. McLay (J. Comput. Chem., 2009)

Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design. - Michael Devereux; Paul L. A. Popelier; Iain M. McLay (J. Chem. Inf. Model., 2009)

Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO. - Michael Devereux; Markus Meuwly (J. Chem. Inf. Model., 2010)

A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field. - Michael Devereux; Nohad Gresh; Jean-Philip Piquemal; Markus Meuwly (J. Comput. Chem., 2014)

Toward force fields for atomistic simulations of iridium-containing complexes. - Franziska D. Hofmann; Michael Devereux; Andreas Pfaltz; Markus Meuwly (J. Comput. Chem., 2014)

Quantum-chemistry based calibration of the alkali metal cation series (Li+-Cs+) for large-scale polarizable molecular mechanics/dynamics simulations. - Todor Dudev; Mike Devereux; Markus Meuwly; Carmay Lim; Jean-Philip Piquemal; Nohad Gresh (J. Comput. Chem., 2015)

On using feature descriptors as visual words for object detection within X-ray baggage security screening. - Mikolaj E. Kundegorski; Samet Akcay; Michael Devereux; André Mouton; Toby P. Breckon (ICDP, 2016)

Transfer learning using convolutional neural networks for object classification within X-ray baggage security imagery. - Samet Akcay; Mikolaj E. Kundegorski; Michael Devereux; Toby P. Breckon (ICIP, 2016)

Systematic improvement of empirical energy functions in the era of machine learning. - Mike Devereux; Eric D. Boittier; Markus Meuwly (J. Comput. Chem., 2024)