Aidan Toner-Rodgers shot to academic fame in a field hungry for new insights and revelatory research. But a computer scientist thought something seemed off.

More than 200 academic papers in South Korea have been retracted over suspicions that artificial in…

Single-atom alloy (SAA) catalysts bridge the precision of homogeneous catalysis and the practicality of heterogeneous systems. This Perspective highlights how theory-led approaches, particularly density functional theory and machine learning, enable their rational design. By shifting from combinatorial exploration to targeted prediction, researchers have identified alloy combinations with high activity, selectivity, and stability that would have not been predicted based on conventional catalytic wisdom. The unique geometric and electronic structures of SAAs break scaling relationships and enable bifunctional reactivity. Emerging areas such as dual-atom alloys and plasmon-enhanced and electrochemical catalysis are discussed. As the compositional phase space of bimetallic and trimetallic systems grows exponentially, theoretical guidance is essential to navigate this complexity efficiently. With surface science providing crucial mechanistic insights and AI accelerating screening, we outline a roadmap for predictive catalyst design and advocate for tighter integration between computation and experiment to address pressing challenges in energy and environmental catalysis.

Despite their improved safety, high energy density when paired with Li metal anode, all-solid-state batteries (ASSBs) continue to face significant challenges, notably the interface with the cathode ac...

Researchers welcome the initiative, but say it doesn’t go far enough to capture the nuance of researcher productivity and impact.

The Faculty of Arts and Sciences slashed the number of Ph.D. student admissions slots for the Science division by more than 75 percent and for the Arts & Humanities division by about 60 percent for th...

Monolithic perovskite–organic tandem solar cells (POTSCs) have attracted considerable attention in recent years due to their compatible fabrication routes and advances in single-cell efficiencies. To ...

Self-assembled monolayers (SAMs) have emerged as a transformative class of hole transport materials for inverted perovskite solar cells (PSCs), distinguished by their negligible parasitic absorption, ...