The field of quantum computing has gained a lot of momentum, and software has been key in both training a global quantum workforce and propelling the research community. Our ability to use and design tools harnessing a constant stream of innovation scattered across many software projects, widely led by enthusiastic open-source communities, plays an essential role in pushing the state of the art. A lot of work in both hardware and algorithm development remains necessary in order to reliably apply quantum computing to solve practical use cases. Applied research in the NISQ era requires software able to express complex workflows making use cases amenable to current devices and simulators, while providing researchers with the ability to explore new avenues and integrate their innovations. It requires the development of software that can harness the latest innovations to keep up with the state of the art.

In this talk, Valentin Senicourt discusses how Good Chemistry is tackling this challenge in the simulation of chemical systems, through the open-source project Tangelo, a python package enabling quantum chemistry workflows on quantum computers and simulators. The content of this session is applicable to fields other than chemistry simulations, and no background in chemistry is required