More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with applications ranging from material design to identifying drug interactions ...

CAMBRIDGE, Mass. and TOKYO, May 27, 2026 (GLOBE NEWSWIRE) -- Matlantis, a leading provider of AI-powered atomistic simulation for industrial materials R&D, today announced a new AI agent integration ...

Magnesium alloys hold promise as a lightweight material to reduce weight in automobiles and transportation systems, offering potential to enhance fuel economy and reduce emissions, but low formability ...

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Atomistic simulations have become indispensable for exploring the behaviour of metallic alloys at the atomic scale, offering insights into defect formation, phase transformations and mechanical ...

Atomistic simulations have become indispensable for elucidating the fundamental mechanisms that govern the behaviour of alloy interfaces and their influence on macroscopic mechanical properties. By ...

The Alexander von Humboldt Foundation has awarded the Humboldt Research Award to Yuri Mishin (George Mason University, USA) and Sang Ho Oh (Korea Institute of Energy Technology, Republic of Korea). • ...

Researchers from Radical AI have published a paper describing TorchSim, a next-generation open-source atomistic simulation engine built entirely in PyTorch. By rewriting the core primitives of ...

CP2K is a widely used open-source package for atomic and molecular simulations, including AI training data. A new overview outlines its methods and scope. The CP2K package contains apps and algorithms ...

The global market for 2D materials — already estimated at several billion dollars annually — is growing at a 4 percent rate. This is explained by the importance of these newly synthesized materials, ...

Almost all computer simulations face the same trade-off: larger models can be more realistic and therefore more useful, but they also take longer to run. Engineers and scientists are therefore faced ...

Continuous downscaling of the critical dimensions in semiconductor devices is the cornerstone of technological revolution. As the technology nodes keep shrinking, innovations in fabrication ...