James McDonagh
Principal Applied Ai Scientist @ApconiX
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WORK HISTORY
Principal Applied Ai Scientist @ApconiX
Leading on the introduction and development of data driven ML/AI technology and capabilities in support of safety science. This includes line management, ML/AI model development, model integration, data preparation, data visualisation and automation.
EDUCATION
Bangor University
MChem, Chemistry
University of St. Andrews
PhD Chemistry, Computational Chemistry and Chemical Informatics
SKILLS
ABOUT JAMES MCDONAGH
I am a computational scientist experienced in computational method development, machine learning and materials/molecular design and screening.+ AI and Machine Learning: Development and application of a broad range of methods (including, classification models, ensembles, deep learning and Bayesian) to deliver generative and predictive models from data.+ Computational chemistry: Skilled in the use of quantum chemistry and molecular simulations.+ Chemical informatics: Accomplished in the manipulation of chemical data to develop and apply tools to deliver insights.+ Cloud Computing: Experience building and deploying images and workflows to cloud environments using Openshift and AWS.+ High Performance Computing: Knowledgeable HPC user, able to work on heterogeneous compute clusters and take advantage of the latest hardware architectures.+ Programming and Software: BASH, Python, Fortran, C, and use of standard office software.+ Collaboration and Innovation: Leading and contributing to interdisciplinary research teams resulting in novel methods, patents and peer reviewed publications.+ Leadership: Leading technical teams on projects producing proof-of-concept methods, tools and new scientific understanding.+ Communication: Peer reviewed publications and book chapters plus award winning oral presentations.
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