Molecular dynamics simulations have emerged as a powerful tool for elucidating the structure and dynamics of semifluorinated alkanes (SFAs) at various interfaces. Owing to their unique diblock nature, ...

This research area employs molecular dynamics (MD) simulations to unravel the intricate behaviour of molecules at the juncture between vapour and liquid phases. MD simulations provide atomistic ...

Scientists have identified and demonstrated a method to process a plant-based material called nanocellulose that reduced energy needs by a whopping 21%, using simulations on the lab's supercomputers ...

Using the now-decommissioned Summit supercomputer, researchers at the Department of Energy's Oak Ridge National Laboratory ran the largest and most accurate molecular dynamics simulations yet of the ...

Since the interaction between the abrasive grain, workpiece and nanofluids on the minimum quantity lubrication (MQL) grinding interface are difficult to observe directly, there is still lack of direct ...

Wafer Scale Engine Unlocks 1.1 Million Simulations Steps/Sec, Enabling Scientists to Perform Two Years’ Worth of GPU-Based Simulations in a Single Day on Cerebras SUNNYVALE, Calif.--(BUSINESS ...

Introduction to modern computational methods for calculating thermodynamic, transport, and structural properties of materials. Computational chemistry, molecular simulation, and mesoscopic methods, ...

Beauty R&D is shifting toward “materials intelligence,” using AI and atom-level simulation to model ingredient interactions, cut trial-and-error, reduce waste, and speed the development of safer, ...

Google LLC’s quantum division today released research showing that its Willow quantum chip can provide elegant and accurate simulations about the physical properties of molecules much faster than ...