More than 20% of the workload on the world's 500 fastest supercomputers is spent simulating how atoms and molecules move—with ...

Ribonucleic acid (RNA) is one of life's most versatile molecules, with roles going far beyond being a messenger of genetic code, as it is fundamentally involved in gene regulation, processing, and ...

Molecular Dynamics Simulations are grounded in classical mechanics, particularly Newton’s laws of motion, to predict how particles move within a system. The force acting on each atom is calculated ...

What if the vast amounts of data generated by molecular dynamics simulations could be routinely shared and reused? A new €10 ...

Two-dimensional (2D) metal-organic frameworks (MOFs) have been extensively utilized across various research areas. However, the application of 2D MOF-based membranes for the removal of heavy metal ...

Fluorinated graphene, a two-dimensional nanomaterial composed of three atomic layers, a central carbon layer sandwiched between two layers of fluorine atoms, has attracted considerable attention ...

A new AI model has become so good at predicting how molecules evolve over time that, in the future, it could speed up the ...

For decades, scientists suspected water secretly behaves like two different liquids. A new AI-powered study has finally ...

A research team at Mahidol University, Thailand, has discovered that tosyl groups, long regarded as routine synthetic handles ...

A study published in Nature Physics provides new molecular-level evidence from simulations that liquid water is not a single ...

Generation Molecular Modelling, Simulation, Free Energy Methods & Synthesis: An End-to-End Workflow from Structure- and ...

SCNet.AI is positioned to bridge supply and demand for computing resources and unify an ecosystem of research software, delivering user-friendly research computing and scientific large model ...