Single Atom

Single-atom research focuses on understanding and manipulating the properties of individual atoms within larger systems, primarily molecules and materials. Current research heavily utilizes machine learning, employing graph neural networks and equivariant models to predict atomic properties and simulate complex interactions, often incorporating concepts from quantum chemistry and physics to improve accuracy and efficiency. This work is crucial for advancing fields like materials science, drug discovery, and quantum computing by enabling the design of novel materials with tailored properties and accelerating the simulation of complex systems.