Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

Chemical engineering researchers have a powerful new tool at their disposal: active machine learning. In a recent perspective article published in Engineering, Kevin M. Van Geem’s research team ...

Density functional theory is a widely used computer-based quantum mechanical method for calculating properties of atoms, ...

Decades-long advances in science and engineering, particularly in ... However, the brute-force search through a vast chemical space is hampered by its formidable cost. In recent years, machine ...

The master’s in machine learning engineering from Drexel Engineering provides the skills needed to take on the transformation of science and technology and a successful career in an exciting ...