Powering the world of quantum mechanics:
HQS Open-Source
Software Solutions
At HQS Quantum Simulations, we are dedicated to providing researchers, scientists, and enthusiasts with cutting-edge open-source tools and software to delve into the captivating realm of quantum mechanics.
Our libraries, including stuqture and qoqo, empower you to navigate the intricacies of quantum computing and unravel the enigmas of quantum information science.
Furthermore, Tools like the Active Space Finder (ASF), which simplifies the selection of active spaces in molecules, making complex calculations more accessible to both experts and non-experts.
Join us on the quantum journey and let HQS be your guide to the quantum world.
Stay up to date on our open-source software solutions and follow our GitHub repositories:
struqture
Build quantum systems with struqture
Our Library struqture is designed to simplify the development and implementation of quantum simulations by offering a tool to efficiently create and exchange quantum mechanical systems. Unlock the potential of quantum simulations and revolutionize your research with struqture.
Key Features:
Build quantum system: Create arbitrary spin, bosonic and fermionic systems or mixtures thereof with an easy syntax based on Pauli operators and creation and annihilation operators.
Open System Support: Create open quantum systems to study decoherence properties.
Physically sensible systems: struqture will make your life easier by preventing you to construct unphysical objects.
Versatile Quantum Simulations: Use our wide range of serialization options to use struqture in connection with the simulation tools of your choice. We recommend transforming Operators and Hamiltonians into a sparse matrix form for use in numeric algorithms.
Extensive Documentation and Resources: We provide comprehensive documentation and resources to ensure a smooth user experience. Our documentation includes detailed explanations of the library's functionalities and examples to guide you through various use cases.
Open-Source and Customizable: struqture is an open-source library, allowing users to modify and extend its capabilities to suit their specific research needs. We encourage contributions from the community, fostering a collaborative environment for advancing quantum simulations.
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Build quantum programs with qoqo
qoqo is a toolkit to represent quantum programs including circuits and measurement information. It has a thin runtime to run quantum measurements and a way to serialize quantum circuits and measurement information.
We provide a variety of interfaces to quantum hardware, simulators, and other toolkits (e.g. qoqo_quest, qoqo_mock, qoqo_qasm, qoqo-for-braket) so that you can run your quantum programs on the system of your choice.
By combining the power of struqture and qoqo, you can unlock even more possibilities in your quantum simulations. Leverage qoqo's extensive toolkit to create and manipulate quantum circuits define custom gates, simulate noise models, and explore advanced quantum algorithms. The integration between struqture and qoqo enables you to set up meaningful quantum simulations.
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Active Space Finder
Simplifying the Selection of Active Spaces in Quantum Chemistry with the ASF
The Active Space Finder (ASF) is a set of functions for the (semi-)automatic selection of active spaces in molecules to be employed with methods such as CASSCF. Choosing an appropriate set of active orbitals can be a complicated task, which requires a significant amount of expertise. We have set out to develop a tool to make such calculations easier and more accessible to both expert and non-expert users.
Employing early-stage quantum devices, in the so-called Noisy-Intermediate-Scale-Quantum (NISQ) era, for applications in quantum chemistry requires the majority of problems to be reduced to their most important degrees of freedom. The ASF sets out to determine those parts of a molecular system that need to be treated at the most advanced quantum mechanical level.