A*STAR Institute of High Performance Computing (A*STAR IHPC)

A computational approach that makes processor-intensive first-principle calculations more manageable is now available to predict the structure of nano-alloy catalysts

Simulations of atomic-scale processes show how to trap and pack molecules in patterned graphene sheets that may have molecular storage applications

Computer simulations of a metal–sulfide alloy unlock the secrets to designing solar-powered catalysts that generate hydrogen fuel from water

Mechanical failure of short nanowires is characterized by smooth, ductile deformations, while long nanowires fail catastrophically

The finding that nitrogen can combine with oxygen in zirconia to form NO molecules may lead to safer materials for nuclear reactors

Molecular sensors based on nanoholes in metallic films are shown to be ideal for medical diagnosis

New insights into the stable magnetism of phase-change semiconductors could enable the development of ultra-high-speed data storage

Computer simulations reveal how rhodium catalysts with ‘stepped’ surface structures break ethanol molecules into hydrogen atoms and why they are so efficient

A combination of random protein movements and the elasticity inside muscles helps to maintain a steady force during skeletal muscle contraction

Faster computational methods could simulate the power and signal integrity of next-generation electronic systems

Researchers have developed a computer model to simulate theory of mind

Computer simulations show how key properties of nanowires change as the diameter increases