741 citations · 1k across the 6 of their papers we have counts for
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Independent Vector Analysis for Data Fusion Prior to Molecular Property Prediction with Machine Learning
Zois Boukouvalas, Daniel C. Elton, Peter W. Chung +1
Due to its high computational speed and accuracy compared to ab-initio quantum chemistry and forcefield modeling, the prediction of molecular properties using machine learning has…
Machine Learning of Energetic Material Properties
Brian C. Barnes, Daniel C. Elton, Zois Boukouvalas +4
In this work, we discuss use of machine learning techniques for rapid prediction of detonation properties including explosive energy, detonation velocity, and detonation pressure.…
Applying machine learning techniques to predict the properties of energetic materials
Daniel C. Elton, Zois Boukouvalas, Mark S. Butrico +2
We present a proof of concept that machine learning techniques can be used to predict the properties of CNOHF energetic molecules from their molecular structures. We focus on a sma…