In recent decades, the growth in computational power has allowed us to improve computational chemistry methods for higher scalability and greater accuracy. Computational chemistry has contributed to the discovery of molecules and materials by providing insight into chemical processes that are sometimes not measurable by experiments. In addition, recent advancements in quantum computing have allowed us to envision an even brighter future for computational chemistry in life and materials sciences down the road.

The quantum simulation division, within quantum computing software company, 1QBit, based in Vancouver, British Columbia, has recently branched out and formed a new independent venture, named Good Chemistry. Good Chemistry’s primary focus is on the development of a computational chemistry platform to further accelerate material design and discovery processes.

In this presentation, we would like to talk about our team's R&D effort in the area of quantum chemistry, including the development of our computational chemistry platform, QEMIST Cloud [1]. QEMIST Cloud is a cloud-native platform that works with any cloud computing platform, such as Amazon Web Services and Azure. Through a simple python-based API, QEMIST Cloud enables users to run quantum chemistry calculations on both conventional computers and quantum computers. The platform has several features including incremental Full CI (iFCI) [2] for scalable and highly-accurate correlation energy calculations. In addition, we would also like to touch on method development and experimental demonstration of quantum chemistry calculations on quantum hardware to minimize quantum resources while maintaining accuracy [3,4].

[1] https://goodchemistry.com/qemist-cloud/

[2] J. Chem. Phys., 146, 104102 (2017); J. Chem. Phys., 146, 224104 (2017).

[3] J. Chem. Phys., 155, 034110 (2021).

[4] Communications Physics, 4, 245 (2021).