China unveils new simulator to accelerate advanced materials development

China has launched its first integrated hardware and software platform for new materials modelling. According to Science and Technology Daily, a TV BRICS partner, the platform has been hailed by the industry as a "divine calculator" and a "microscopic virtual microscope".

Thanks to breakthroughs in algorithms, the cost of large-scale modelling has been reduced by over 90 per cent, signalling a shift towards more cost-effective, domestically produced computational tools for new materials development.

Traditionally, research and development of new materials (R&D) has been mired in a cycle of "lengthy trial-and-error, low simulation efficiency and high computing costs". Simulating systems comprising hundreds of millions of atoms typically requires access to national-level supercomputing centres, presenting a significant barrier to entry.

The new algorithm significantly reduces the computational complexity of many-body problems, lowering it from a quadratic to a linear scale. This overcomes the limitations of traditional computational resources. Tests have shown that this new simulator can effectively simulate systems containing over 100 million atoms, with scalability approaching 100 per cent. The speed of computational analysis has increased by tens or even hundreds of times, enabling numerous experts and industry professionals to easily conduct simulations of new materials.

The "microscopic virtual microscope" also supports the preliminary screening and optimisation of material compositions within a virtual environment. This can reduce the development costs of new materials by 30 per cent to 50 per cent and significantly shorten the R&D cycle.

Experts note this new computational platform lays a crucial foundation for technological independence and supply chain security in the new materials industry. The product has already been applied in the field of polymer materials, and there are plans to extend its use to several other industrial sectors by the end of the year.