Machine learning potential assisted exploration of complex defect potential energy surfaces

Physics & Astronomy

• machine learning 100%
• potential energy 66%
• defects 43%
• ground state 34%
• polymorphism 33%
• thorium 32%
• fluorite 31%
• nuclear fuels 30%
• dioxides 28%
• configurations 28%
• point defects 24%
• physical properties 20%
• density functional theory 20%
• mechanical properties 17%
• irradiation 16%
• expansion 16%
• performance 11%