China’s NanoTitan Ultra Materials Simulator Goes Global
China has launched its domestically-developed high-end materials simulator, the NanoTitan Ultra, to the global market, marking a significant milestone in the country’s push for technological self-reliance in materials science. The product was unveiled at the “AI Empowers New Materials, Digital Intelligence Leads New Industries” forum held in the Western Science City Chongqing High-tech Zone, according to Science and Technology Daily.
Breaking the Cost Barrier
Developed by Chongqing Soge Shencai Technology Co., Ltd., an incubated company of the Shanghai Jiao Tong University Chongqing AI Research Institute, the NanoTitan Ultra is a software-hardware integrated system that dramatically reduces the cost of large-scale materials simulation. According to People’s Daily, the simulator cuts simulation costs from tens of millions of yuan to the million-yuan level — a reduction of over 90% compared with the most advanced dedicated simulators internationally.
“For a long time, new materials R&D has been mired in the quagmire of ‘long trial-and-error cycles, low simulation efficiency, and high computing costs,’” said Zhao Teng, General Manager of Soge Shencai, as reported by Chongqing Municipal Government. “Traditionally, simulating systems of over 100 million atoms required relying on national-level supercomputing centers, with extremely high barriers to entry.”
The Random Batch Algorithm Breakthrough
The NanoTitan Ultra’s power stems from the “Random Batch” series algorithm developed by Professor Jin Shi, Dean of the Shanghai Jiao Tong University Chongqing AI Research Institute and European Academy of Sciences academician, along with Professor Xu Zhenli of Shanghai Jiao Tong University. The algorithm reduces the computational complexity of many-body problems from quadratic to linear scale, breaking through traditional computational bottlenecks in many-body simulation. The research has earned the Shanghai Natural Science Award First Prize and the CSIAM Applied Mathematics Implementation Achievement Certification.
Building on this algorithm, the NanoTitan Ultra integrates three core proprietary technologies: RBMD, a multi-GPU parallel random batch molecular dynamics simulation software; SOG-Net, a high-precision long-range machine learning potential function model; and SOG-Omni, a materials R&D intelligent agent.
Performance That Rivals Supercomputers
According to Xinhua, the simulator can run parallel simulations of over 100 million material atomic systems on just over ten GPU cards, with scaling efficiency approaching 100%. Computational screening speed is improved by tens to hundreds of times, transforming high-end materials simulation from an “industry top-tier” exclusive resource into a general-purpose industry tool.
Zhao Teng noted that the NanoTitan Ultra can clearly present atomic-level interaction mechanisms, allowing researchers to “understand the principles and design precisely.” It also enables pre-screening and optimization of formulations through virtual scenarios, helping reduce new materials R&D costs by 30% to 50% and significantly compressing development cycles.
A Paradigm Shift in Materials Research
The launch represents more than just a new product — it signals a fundamental transformation in how materials research is conducted in China. Industry experts quoted by Guangming Daily say the implementation of domestically-produced autonomous simulation tools marks the official farewell of domestic new materials R&D from the “experience-based trial and error” model, entering a new stage of “data-driven, intelligent iteration.”
This development comes after years of Western dominance in the materials simulation software market, where tools such as VASP, LAMMPS, and Materials Studio have been the industry standard. The NanoTitan Ultra represents a significant step toward reducing China’s dependence on foreign high-end computational tools, particularly important given concerns about supply chain security in the current international environment.
From Research Institute to Market
The NanoTitan Ultra is the culmination of a development trajectory that began with the release of the “WeiZhu” many-body intelligent software platform in September 2023, followed by the predecessor “NanoTitan Pro” all-in-one machine unveiled in November 2025 at the 4th Mathematics Promoting Economic and Social Development Forum in Chongqing, as documented by Chongqing News Network.
As the 9th incubated company of the Shanghai Jiao Tong University Chongqing AI Research Institute, Soge Shencai embodies the “institute-local government collaboration” innovation model, achieving full-chain independent control from underlying algorithms to software-hardware systems.
What’s Next
The product has already been deployed in the polymer materials field, with plans to expand to multi-scenario demonstration applications within the year. Anchored in Chongqing’s new energy, advanced materials, and high-end manufacturing sectors, the simulator is positioned to support high-throughput simulation testing and rapid iteration of new materials formulations for research institutions and manufacturing enterprises alike.
As China continues to strengthen its technological self-reliance, the NanoTitan Ultra’s global launch signals that domestically-developed tools are increasingly ready to compete on the world stage — not just as alternatives to foreign products, but as innovations that could reshape the materials science landscape.