📣 The Core News: Turbocharging Materials Science

Matlantis has partnered with NVIDIA to dramatically increase the speed and scale of materials discovery. They integrated the powerful NVIDIA ALCHEMI Toolkit into Matlantis's existing platform. This integration allows for "high-throughput materials simulation" at an industrial level, meaning scientists can test hundreds of potential materials much faster than before.

👉 This collaboration provides unprecedented computational power, enabling researchers to simulate complex materials behavior at the atomic level—all from one integrated toolkit.

🏢 Company Context: What is Matlantis?

In simple terms, Matlantis is a specialized "universal atomistic simulator." It is a sophisticated cloud-based software that mimics how materials behave at the absolute smallest level: the individual atoms. Instead of requiring decades of physical experimentation, scientists can virtually test materials like batteries, catalysts, and semiconductors on the computer.

👉 The platform was jointly developed by PFN and ENEOS and is already trusted by over 150 companies across various industries.

⚙️ Technical Deep Dive: The Power Upgrade

This announcement isn't just about speed; it's about stability and scale. Matlantis has already made progress by integrating NVIDIA Warp-optimized kernels, which previously provided up to 10x speed improvements in calculations.

The latest breakthrough involves LightPFP, a lightweight potential used for large-scale simulations. Matlantis has upgraded LightPFP to a stable, server-based architecture. By replacing the complex "neighborhood list construction" process with NVIDIA ALCHEMI Toolkit-Ops, they solved a major technical bottleneck—the communication overhead.

💥 Why It Matters: Accelerating R&D Cycles

For industries that rely on breakthrough materials (like batteries, advanced semiconductors, or new industrial alloys), time is literally money. Currently, testing a single material can take huge amounts of time and expensive resources.

By achieving industrial-scale, high-throughput simulation, this integration drastically cuts the research and development (R&D) cycle. Companies can move from an idea to a viable material candidate far faster than ever before, dramatically lowering the risk and cost of innovation.

🚀 Strategic Angle & Future Roadmap

The partnership is clearly designed for continuous scaling. Matlantis's most advanced potential model, the Universal Machine-Learning Interatomic Potential (uMLIP) or PFP, is the ultimate goal.

Looking ahead, Matlantis plans to integrate the full power of PFP with the NVIDIA ALCHEMI Toolkit. This next step is critical because it will marry Matlantis's proprietary deep-learning potential with NVIDIA's comprehensive toolkit, maximizing GPU efficiency for both small-scale research and massive industrial design projects.

👉 This roadmap shows the company is not resting on its laurels; it is continuously bridging the gap between theoretical research and practical, large-scale industrial application.

🧠 The Analogy

Think of materials science research like building a skyscraper. Traditionally, you had to pour the foundation (experimentation), wait for concrete to dry (time), and then slowly build the walls one by one (limited simulation capacity). This partnership is like receiving a massive, industrial-strength crane (ALCHEMI Toolkit) and a revolutionary blueprint (PFP) that allows the construction crew to raise entire floors simultaneously, dramatically shrinking the construction timeline.

🧩 Final Takeaway

This announcement solidifies Matlantis's position as a leader in computational materials science. The deep integration with NVIDIA's flagship tools proves that their platform can handle the extreme scale and complexity required by major global industries.

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Matlantis Accelerates Materials Discovery with NVIDIA ALCHEMI Toolkit

New integration enables high-throughput materials simulation at industrial scale

April 14, 2026 20:00 ET

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Matlantis

CAMBRIDGE, Mass and TOKYO, April 14, 2026 (GLOBE NEWSWIRE) -- Matlantis today announced the integration of the NVIDIA ALCHEMI Toolkit into its platform to deliver unprecedented computational throughput for industrial materials simulation. This new milestone builds on a strong foundation of technical collaboration and synergy between the two companies. Matlantis has previously integrated NVIDIA Warp-optimized kernels into its simulation pipeline, including critical components such as neighbor list construction and DFT-D3 dispersion corrections. These integrations have significantly reduced computational overhead, achieving up to 10x speed improvement in key atomistic calculations. LightPFP: Scaling Simulation to Industrial Demands (available in mid-April): LightPFP, Matlantis’ lightweight potential for large-scale simulations, integrates with the NVIDIA ALCHEMI Toolkit-Ops. To ensure more flexible resource allocation and highly stable operations, LightPFP has transitioned to a server-based architecture that can be seamlessly invoked from standard notebook environments. While communication overhead is a common bottleneck in such distributed configurations, Matlantis successfully mitigated this challenge by replacing the neighborhood list construction process during inference with the NVIDIA ALCHEMI Toolkit-Ops. Future Roadmap: PFP Integration: Looking ahead, Matlantis is also planning the integration of its flagship Universal Machine-Learning Interatomic Potential (uMLIP), PFP, with the NVIDIA ALCHEMI Toolkit. This upcoming development aims to further power both small-scale research and large-scale industrial materials design, bridging the gap with unparalleled GPU efficiency. "Our continued collaboration with NVIDIA represents our commitment to providing the most advanced tools for material developers," said Masateru Kawaguchi, VP of Product Department, Matlantis. "With LightPFP, followed by our plans for the full PFP potential, we’re enabling customers to accelerate their R&D cycles while maintaining the highest level of accuracy and performance in the industry." For more information about the NVIDIA ALCHEMI Toolkit, visit https://developer.nvidia.com/blog/building-custom-atomistic-simulation-workflows-for-chemistry-and-materials-science-with-nvidia-alchemi-toolkit/. About Matlantis Jointly developed by PFN and ENEOS, Matlantis is a universal atomistic simulator that supports large-scale material discovery by reproducing new materials’ behavior at an atomic level on the computer. PFN and ENEOS have incorporated a deep learning model into a conventional physical simulator to increase the simulation speed by tens of thousands of times and to support a wide variety of materials. Matlantis was launched in July 2021 as a cloud-based software-as-a-service by Matlantis Corp. (formerly named Preferred Computational Chemistry), a company jointly invested by PFN, ENEOS and Mitsubishi Corporation. Matlantis is used by over 150 companies and organizations for discovering various materials including catalysts, batteries, semiconductors, alloys, lubricants, ceramics and chemicals. For more information, please visit: https://matlantis.com/en/. Media Contact: Emily Townsend Scratch Marketing + Media for Matlantis [email protected]

Matlantis integrates NVIDIA ALCHEMI Toolkit for industrial materials simulation