Tech Overlook

Updated Quantum Development Kit offers new chemistry library and improved developer tools


At Microsoft Ignite, we shared our advancements over the past year and new capabilities within the Quantum Development Kit that will help us tackle real-world challenges. Starting today, you can download the updated Microsoft Quantum Development Kit and start leveraging the latest features. The update includes:

  • New quantum chemistry library. The new quantum chemistry library can be used to develop quantum simulation solutions in the chemistry domain.
  • Improved Q# developer experience. The Quantum Development Kit now delivers deeper integration with Visual Studio and Visual Studio Code. This update includes live feedback as you type, with errors indicated by underlined errors and warnings.
  • New Q# language capabilities. The Q# programming language has been extended in ways that unify how developers code common operations, such as iteration over arrays, making coding in Q# easier and faster.

New quantum chemistry library

Quantum computers have the potential to solve the world’s hardest computational problems and forever alter our economic, industrial, academic, and societal landscape.  One significant area is computational chemistry, where quantum computers will drive advancements in areas such as drug discovery, development of pigments and dyes, and the development of catalysts for industrial processes. These processes could break down pollutants in exhaust streams, extract atmospheric nitrogen to make fertilizer, and enable new methods for carbon capture. For example, a quantum computer may help identify a way to remove carbon from our environment more efficiently, to combat global warming.

To unlock these potential applications, this release of the Quantum Development Kit now includes a state-of-the-art chemistry library that allows users to explore quantum algorithms for real-world applications in the computational chemistry domain. New features include:

  • State-of-the-art Q# implementations of methods for Hamiltonian simulation.
  • Various samples to help the user get started quickly.
  • Integrations with NWChem, an open source high-performance computational chemistry software package.

The chemistry library was developed in collaboration with Pacific Northwest National Laboratory (PNNL), a leader in both chemistry and data analytics. Together, the chemistry library and NWChem enable quantum solutions and allow researchers and developers a higher-level of study and discovery as they tackle today’s computationally complex chemistry problems.

Learn more about the new chemistry library here.

Exploring the quantum chemistry library with Visual Studio Code
Exploring the quantum chemistry library with Visual Studio Code

Enhanced Q# language and developer experience

The updated Quantum Development Kit offers enhanced integration with both Visual Studio and Visual Studio Code. This includes IntelliSense features such as real-time feedback on errors. Additionally, the Q# language continues to improve and now provides more powerful language expressions that simplify the task of quantum programming. For instance, to simplify common code patterns, we added a conditional operator (condition? true | false) and iteration over arrays as well as ranges.

Learn more about the new Q# language changes here.

Valuable Hover information with Visual Studio
Valuable Hover information with Visual Studio

Update to Quantum Development Kit 0.3 Today!

With the updated kit you’ll find a suite of detailed documentation, tutorials, libraries, and sample algorithms and Q# code. You can dive right in with the included quantum codes and find easy-to-follow samples crafted in Q# for highly optimized and intuitively written code. The Quantum Development Kit supports a broad and inclusive range of development platforms, including Windows, Linux, and macOS. It also supports programming languages such as Python on Windows.

The kit also includes simulation tools that can mimic execution on a quantum computer and allows users to optimize their code and estimate the resource cost of running a solution on a real quantum computer with the help of the included Trace Simulator.

To start learning how to program for quantum, try our self-paced tutorials called the Microsoft Quantum Katas. These coding katas are great tools for learning a new programming language and rely on several simple learning principles: active learning, incremental complexity growth, and feedback.

Today, developers around the world are exploring the Microsoft Quantum Development Kit and experiencing the world of quantum computing, from startups to the enterprise and across academia, research, and design. The scalable Microsoft quantum computing solution is already enabling problem-solvers from various disciplines and skill levels to explore the world of quantum development and begin solving some of the planet’s most complex challenges. With our updated Quantum Development Kit, we’re excited to help our growing community take another step toward the new world of quantum computing.



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