Anastasiia Tkachenko

Neural Network Atomistic Potentials for Global Energy Minima Search in Carbon Clusters Nikolay V. Tkachenko, Anastasiia A. Tkachenko, Benjamin Nebjen, Sergei Tretiak and Alexander Boldyrev Abstract The global energy optimization problem is an acute and important problem in chemistry. It is crucial to know the geometry of the lowest energy isomer (global minimum, GM) of a given compound for the evaluation of its chemical and physical properties.

This is an early access version, the complete PDF, HTML, and XML versions will be available soon. Open AccessArticle by Vladimir A. Kulyukin 1,*, Daniel Coster 2, Anastasiia Tkachenko 1, Daniel Hornberger 1 and Aleksey V. Kulyukin 1 1 Department of Computer Science, Utah State University, Logan, UT 84322, USA 2 Department of Mathematics and Statistics, Utah State University, Logan, UT 84322, USA * Author to whom correspondence should be addressed.