Michael Devereux

Orcid: 0000-0002-1561-1635

According to our database1, Michael Devereux authored at least 10 papers between 2004 and 2024.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Links

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Bibliography

2024
Systematic improvement of empirical energy functions in the era of machine learning.
J. Comput. Chem., 2024

2016
Transfer learning using convolutional neural networks for object classification within X-ray baggage security imagery.
Proceedings of the 2016 IEEE International Conference on Image Processing, 2016

On using feature descriptors as visual words for object detection within X-ray baggage security screening.
Proceedings of the 7th International Conference on Imaging for Crime Detection and Prevention, 2016

2015
Quantum-chemistry based calibration of the alkali metal cation series (Li<sup>+</sup>-Cs<sup>+</sup>) for large-scale polarizable molecular mechanics/dynamics simulations.
J. Comput. Chem., 2015

2014
Toward force fields for atomistic simulations of iridium-containing complexes.
J. Comput. Chem., 2014

A supervised fitting approach to force field parametrization with application to the SIBFA polarizable force field.
J. Comput. Chem., 2014

2010
Force Field Optimization using Dynamics and Ensemble Averaged Data: Vibrational Spectra and Relaxation in Bound MbCO.
J. Chem. Inf. Model., 2010

2009
Quantum Isostere Database: A Web-Based Tool Using Quantum Chemical Topology To Predict Bioisosteric Replacements for Drug Design.
J. Chem. Inf. Model., 2009

Toward an <i>ab initio</i> fragment database for bioisosterism: Dependence of QCT properties on level of theory, conformation, and chemical environment.
J. Comput. Chem., 2009

2004
A Modified Szilard's Engine: Measurement, Information, and Maxwell's Demon.
Entropy, 2004


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