Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of artificial intelligence (AI) techniques integrated ...

Figure 1. Various methodologies are utilized in the simulation of materials and materials, such as quantum mechanical calculations at the nanometer (nm) level, classical mechanical force fields at the ...

Researchers from China University of Petroleum (East China), in collaboration with international partners, have reported a comprehensive review of ...

Title: Putting density functional theory to the test in machine-learning accelerated discovery for transition metal chemistry Abstract: Many compelling functional materials and highly selective ...