project will take advantage of recent developments in machine learning methods, to enable computer modelling of the mechanical... behaviour of titanium alloys to produce a machine learning-based interatomic potential and reference database...
University of Warwickchemical barrier predictions adds further complications. Machine learning (ML) models of quantum chemistry can achieve fast... drug molecules and need to be considered. Graph-based reaction discovery and generative machine learning provide a path...
University of Warwickof optimizer) or using tools from statistics and machine learning such as Bayesian inference which mitigate the ill-conditioning... of the problem by incorporating prior information. Many machine-learning models for interatomic interactions have been...
University of Warwick