Modules
At HQS we believe that all steps of the simulation of quantum mechanical systems belong to one of four categories. All our available modules are organized along these categories:
When we design our tools, our focus is on creating clear and intuitive interfaces. This approach not only simplifies the use of each tool on its own, but also ensures they can be easily interconnected for more comprehensive tasks. Nonetheless, the inherent complexity associated with scientific software is undeniable. To mitigate this and enhance user experience, we provide the HQS Modeling Assistant. This AI-powered chat assistant simplifies the onboarding and use of our software, making it more accessible and user-friendly.
Before starting a simulation, you need to create a detailed description of the system you want to simulate. This description should be as accurate as possible and compatible with the simulation methods you’re using. With HQS Molecules, we make it easy to turn a molecule’s name into a 3D model on your computer. Also, our Spin Mapper tool lets you convert an electronic description into a spin-based one. This gives you more options for simulation methods and makes it possible to simulate these systems on quantum computers.
Quantum advantage has been shown for abstract problems, but practical benefits are still limited. HQS’s approach to quantum computing aims to address this by focusing on time evolutions on quantum computers and managing noise in a unique way. The HQS Noise App provides a new way to translate problems from fields like chemistry, materials science, and other quantum mechanical problems to a quantum computer. The HQS Qorrelator App is designed to calculate correlation functions, especially for NMR spectroscopy. With the HQS Quantum Libraries we offer a wide range of modules for advanced quantum computing tasks.
Discover the power of quantum simulation with HQS’ suite of simulation tools, designed to run on conventional computers. Study many-particle physics problems efficiently with the HQS Quantum Solver. Calculate spectra of spin systems with HQS Spectrum Tools in the context of NMR spectroscopy. Compute properties of materials and devices on a large scale with HQS Qolossal. Tackle the complexity of noisy quantum systems with HQS Raqet.
Available Modules
The following modules are available on HQStage. To learn more about acquiring a license visit licensing.
Following the links you can find a detailed description, information and documentation of the Modules.
The customer is advised that HQS uses open source components (OSS components). These OSS components are listed in the respective module documentation, stating the applicable license of the OSS components.
The HQS Noise App stands as a poweful software package, harnessing the power of quantum computers for quantum simulation of open quantum systems and interesting capabilities for applications like quantum machine learning. This unique tool offers a novel approach to mapping problems from diverse fields such as chemistry, materials science, and other quantum mechanical challenges onto a quantum computer. What sets the HQS Noise App apart is its scalable approach to quantum simulations. This scalability ensures that the app remains relevant and effective as technology advances. It is perfectly suited for the current generation of noisy intermediate-scale quantum (NISQ) computers however designed with the future in mind, allowing for easy portability to the fully error-corrected quantum computers of tomorrow. In essence, the HQS Noise App is not just a tool for today’s quantum computing needs, but a bridge to the quantum future, ready to evolve and adapt as quantum technology continues to advance.
Spectroscopy, an incredibly potent tool, stands as a cornerstone in the realm of chemistry. It facilitates the precise identification and characterization of chemical compounds, thereby playing a pivotal role in areas such as drug discovery and environmental analysis. Indeed, it is arguably the most crucial instrument at our disposal for probing the microscopic world of quantum phenomena. However, interpreting spectroscopic data can pose a significant challenge. This is where theoretical considerations come into play, aiding in the calculation of spectra. Given the quantum nature of spectroscopy, these calculations can be quite complex for conventional computers to handle. Enter the HQS Qorrelator App, a user-friendly solution designed to calculate correlation functions using the power of quantum computers. Correlation functions are a central object of spectroscopy, and the HQS Qorrelator App makes it easier than ever to work with them. The app is particularly suited when it comes to obtaining NMR correlation functions, one of the most potent methods in spectroscopy. This feature is especially beneficial in the chemical and pharmaceutical industries, where NMR spectroscopy is frequently employed.
Modules under development
The following modules are under development and will be available soon. To find out more visit our solutions page.
With the HQS Modeling Assistant we make your journey into quantum simulation and quantum computing simple and streamlined. This chat assistant makes getting started a breeze, guiding you through our modules and their functionalities. You don’t need to worry about labels and conventions - the HQS Modeling Assistant creates inputs in the correct format. Furthermore, by uploading relevant resources such as scientific papers, you can provide the assistant with contextual information, enabling you to set up your simulations through a mere handful of chat messages.
From chemical reactions to magnetic materials, the presence of unpaired electrons holds immense significance in shaping various material properties. Recognizing this crucial role, the HQS Spin Mapper has been created to seamlessly transfer unpaired electrons from electronic systems into a spin framework. By facilitating the conversion of electron systems into a spin-based representation, the HQS Spin Mapper opens up a realm of possibilities for exploring the intricate world of electron interactions. It empowers researchers to explore the effects of spin-spin interactions, both in closed and open environments. This module serves as a catalyst for identifying and extracting the fundamental spin degrees of freedom present in solids and molecules, enabling detailed simulations to unravel the quantum properties that underlie their behavior. Describing important quantum mechanical properties of materials through spin degrees of freedom also allows a smooth connection to quantum computers.
2D structural formulas serve as the primary language for chemists. However, accurate three-dimensional representations of molecules are essential for conducting chemical simulations. Traditionally, obtaining these 3D structures in their right conformations involves a significant amount of manual work. HQS Molecules is a tool designed to automate this initial step in your simulation process, streamlining your journey through the world of chemical simulations.
The HQS Quantum Libraries encompass a comprehensive suite of modules tailored for advanced quantum computing tasks. These modules include algorithms, qonvert, noise-mapper, and the bath-mapper, serving to facilitate quantum algorithm development, compilation, noise emulation, and system-bath interaction modeling.
The HQS Quantum Solver stands as HQS’ comprehensive toolkit to tackle quantum systems in the many particle wave function description. It combines high-speed code, written in compiled programming languages, with a user-friendly interface. With its consistent and adaptable design,the HQS Quantum Solver provides functions for building Hamiltonians and operators in the many-particle description allowing the exploitation of symmetries like particle number or spin Sz conservation. It enables to study of eigen states, and time propagation including various quench schemes and the calculation of static and dynamic correlation functions.
Nuclear magnetic resonance (NMR) spectroscopy is a key analytical tool in chemistry and related disciplines. Its broad application not only facilitates the identification of molecules, but also provides intricate details about their structure, dynamics, and chemical environment. The ability to compare an experimental NMR spectrum with theoretical predictions for various compounds is crucial for the accurate identification and characterization of chemical entities. Given the NMR parameters of a molecule, HQS Spectrum Tools provides a set of solvers to calculate the NMR spectrum. These specialized solvers are designed to predict spectra with remarkable accuracy, even for complex, large molecules.
Qolossal is an advanced solution for analyzing non-interacting systems, making it easy to calculate material and device properties with ease. With its scalable architecture, you can analyze systems with hundreds of millions or billions of nodes, all on standard hardware configurations.
HQS Raqet is a powerful tool that allows for the efficient simulation of spin systems affected by environmental noise. It is designed to take advantage of the fact that in such systems, noise limits the spread of quantum correlations. This can be used to reduce the level of complexity required to describe the physics of the system. In HQS Raqet this reduction of complexity is leveraged to allow the user to study systems of considerable size and fundamentally understand the computational complexity of simulating noisy quantum systems.