Good Chemistry open-sources Tangelo to catalyze chemistry innovation on quantum computers

VANCOUVER, B.C. – June 28, 2022 – Good Chemistry announced today the open-sourcing of Tangelo, their quantum computing SDK for chemistry that enables end-to-end chemistry workflows on quantum computers. Tangelo is available as a Python package under the permissive Apache 2.0 license and is hosted on Github.

Good Chemistry believes that quantum computing will change the way new materials are designed. However, it will take a diverse community of collaborators, including those with domain expertise in chemistry, to realize innovative approaches that exploit the potential of near-term and fault-tolerant quantum devices. This belief led to the decision to open-source Tangelo. “It did not make sense to keep Tangelo for ourselves. We believe quantum computing’s potential for chemistry will be unleashed only if all researchers have access to the right tools to invent new ways of harnessing this new computing paradigm,” said Valentin Senicourt, Good Chemistry’s Quantum Software Lead.

The first users of Tangelo include companies such as Dow and DIC Corporation. In particular, the collaboration between Dow and Good Chemistry helped shape the foundation of this package. Tangelo includes features that have already enabled Dow and Good Chemistry to carry out pioneering quantum experiments, including those featured in their joint publications in Communications Physics or Journal of Chemical Physics. The two companies also co-authored the reference manual for Tangelo, which details its design and API, and is available on arXiv today.

“Moving my project forward was greatly facilitated by Tangelo’s backend-agnostic and modular design, as well as its numerous reusable building blocks. Although I do not have formal software development training, I thought the process of contributing code to Tangelo was straightforward and educational. The developer team was responsive, pleasant, and helpful during the code review process,” said Marc Coons, Associate Research Scientist at Dow, who has been leading the collaboration between Dow and Good Chemistry.

Tangelo is designed with end-to-end chemistry workflows in mind. It provides tools to process molecular data, decompose complex chemistry problems, express these problems as quantum programs, execute the programs on cutting-edge hardware, and post-process the results to get the desired level of accuracy. Moreover, Tangelo is backend-agnostic and compatible with all major quantum cloud services (including Amazon Braket, Azure Quantum, and Qiskit). Users can easily leverage different quantum technologies using their credentials on those platforms without worrying about adjusting their experiments for each interface.

Tangelo works seamlessly with Good Chemistry’s QEMIST Cloud, a cloud-based platform leveraging machine learning and cloud-native computational chemistry algorithms to compute properties of molecular systems. The combination of Tangelo and QEMIST Cloud’s problem decomposition layer opens the door to tackling larger and more industrially-relevant chemical systems on quantum computers, ameliorating the limitations of current quantum technologies. The integration with QEMIST Cloud also enables users to submit quantum experiments directly to Amazon Braket using their QEMIST Cloud credits without additional setup.

“With QEMIST Cloud, we can accelerate materials and life sciences today by providing a high-throughput, high-accuracy simulation platform on the cloud. With Tangelo, we equip researchers for tomorrow and the future of chemistry. We’re excited to see what Tangelo will inspire,” said Takeshi Yamazaki, Good Chemistry’s Director of Research and Development.

Good Chemistry invites the materials science, life sciences, and quantum computing communities to join this initiative and explore the applications of quantum computing in chemistry with Tangelo.

 

About Good Chemistry

Good Chemistry’s mission is to enable high-throughput high-accuracy computational chemistry calculations to accelerate new material designs. Their proprietary QEMIST Cloud, a cloud-based computational chemistry platform, provides the foundational methods for chemical simulation by using emerging algorithms in quantum chemistry, machine learning, and quantum computing. Through simple, easy-to-use APIs, QEMIST Cloud provides access to computational chemistry tools with unprecedented scaling capabilities, enabled by the power of cloud computing. Headquartered in Vancouver, Canada, Good Chemistry’s interdisciplinary team comprises computational and quantum chemists, software developers, ML engineers, and quantum computing scientists. For more information about Good Chemistry, visit goodchemistry.com.

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