New AI and Quantum Simulation Collaboration to Revolutionize Drug Discovery, Energy Generation, and More

PALO ALTO, Calif., Nov. 20, 2023 /PRNewswire/ — SandboxAQ and NVIDIA have recently joined forces in an innovative collaboration aimed at transforming industries such as pharmaceuticals, energy, construction, and financial services. By leveraging NVIDIA quantum platforms, SandboxAQ will utilize artificial intelligence (AI) simulation capabilities to predict chemical reactions for a multitude of applications, ranging from drug discovery to battery design and green energy.

Through the integration of GPU hardware and quantum information science, this collaboration represents a significant advancement in the field of AI technology. By directly simulating quantum mechanics using tensor networks, SandboxAQ plans to unlock a new wave of insights into the physical world. This breakthrough combines the power of simulation and advanced AI, going beyond the capabilities of generative AI alone.

“SandboxAQ’s AI simulation capabilities, augmented with NVIDIA accelerated computing and quantum platforms, will help enable the creation of new materials and chemical compounds that will transform industries and address some of the world’s biggest challenges,” said Eric Schmidt, Chairman of SandboxAQ.

With applications in healthcare, energy, construction, and more, this collaboration between SandboxAQ and NVIDIA holds immense potential to revolutionize various sectors. By predicting complex chemical interactions through powerful accelerated computing platforms, such as cuTENSOR and cuTensorNet, scientists can make the next generation of breakthroughs in material science.

In addition to its existing efforts, SandboxAQ will employ highly GPU-optimized tensor network methods to solve challenging problems in science and industries. This work will complement their ongoing endeavors in pharmaceutical development, materials science, and beyond. Applications of SandboxAQ’s AI and Simulation include protein-ligand binding computations for large-scale undruggable targets, pose and toxicity prediction, and predicting lifecycles for next-generation batteries using novel materials.


Q: What is SandboxAQ’s collaboration with NVIDIA?
A: SandboxAQ and NVIDIA have partnered to revolutionize industries by leveraging AI simulation capabilities and quantum platforms to predict chemical reactions for applications such as drug discovery, battery design, and green energy.

Q: How will this collaboration impact industries?
A: By combining simulation and advanced AI, this collaboration will unlock new insights about the physical world, transforming sectors such as healthcare, energy, construction, and financial services.

Q: What technologies will be utilized in this collaboration?
A: SandboxAQ will utilize NVIDIA’s quantum platforms, as well as cuTENSOR, cuTensorNet, and CUDA libraries, to predict complex chemical interactions and make breakthroughs in material science.

Q: What are some specific applications of SandboxAQ’s AI and Simulation?
A: SandboxAQ’s applications include protein-ligand binding computations for neurodegenerative disease, pose and toxicity prediction, and predicting lifecycles for next-generation batteries composed of novel materials.