Matlantis Enhances Industrial Materials Simulation with NVIDIA ALCHEMI Toolkit Integration

(SeaPRwire) –   New integration enables high-throughput materials simulation at industrial scale

CAMBRIDGE, Mass and TOKYO, April 14, 2026 — Matlantis today announced the integration of the NVIDIA ALCHEMI Toolkit into its platform, delivering unprecedented computational throughput for industrial materials simulation.

This latest advancement builds upon a strong history of technical collaboration and synergy between the two companies. Matlantis has previously incorporated NVIDIA Warp-optimized kernels into its simulation pipeline, including essential components like neighbor list construction and DFT-D3 dispersion corrections. These integrations have significantly reduced computational overhead, resulting in up to a 10x speed improvement in key atomistic calculations.

LightPFP: Scaling Simulation to Industrial Demands (available mid-April): LightPFP, Matlantis’ lightweight potential for large-scale simulations, now integrates with the NVIDIA ALCHEMI Toolkit-Ops. To facilitate 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 has successfully addressed this challenge by replacing the neighborhood list construction process during inference with the NVIDIA ALCHEMI Toolkit-Ops.

Future Roadmap: PFP Integration: Looking ahead, Matlantis also plans to integrate its flagship Universal Machine-Learning Interatomic Potential (uMLIP), PFP, with the NVIDIA ALCHEMI Toolkit. This forthcoming development aims to further enhance both small-scale research and large-scale industrial materials design, bridging the gap with unparalleled GPU efficiency.

“Our ongoing collaboration with NVIDIA underscores our dedication to providing the most advanced tools for material developers,” stated Masateru Kawaguchi, VP of Product Department at Matlantis. “With LightPFP, and our future plans for the full PFP potential, we are empowering our customers to accelerate their R&D cycles while maintaining the highest industry standards for accuracy and performance.”

For further details on the NVIDIA ALCHEMI Toolkit, please visit https://developer.nvidia.com/blog/building-custom-atomistic-simulation-workflows-for-chemistry-and-materials-science-with-nvidia-alchemi-toolkit/.

About Matlantis

Matlantis, jointly developed by PFN and ENEOS, is a universal atomistic simulator designed to support large-scale material discovery by accurately reproducing new materials’ behavior at an atomic level on computers. PFN and ENEOS have integrated a deep learning model into a conventional physical simulator, achieving simulation speeds tens of thousands of times faster and enabling support for a wide array of materials. Launched in July 2021 as a cloud-based software-as-a-service by Matlantis Corp. (formerly Preferred Computational Chemistry), a company jointly invested in by PFN, ENEOS, and Mitsubishi Corporation, Matlantis is utilized by over 150 companies and organizations for the discovery of diverse 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
matlantis@scratchmm.com