Quantum
Quantum Development Kit for chemistry
End-to-end workflows transform problems to solutions with quantum chemistry execution. Use classical preprocessing, advanced circuit compression techniques, and chemistry-aware quantum algorithms built for scale.
Solve chemistry problems with quantum
Quantum algorithms for chemistry
Chemistry-aware algorithms use molecular structures to dramatically reduce circuit depth and quantum resource requirements.
Robust classical foundation
For chemistry problems that require quantum computation, classical preprocessing generates the essential inputs for quantum chemistry algorithms.
Extensible, modular architecture
An expandable framework supports tailored workflows, interoperability across platforms, and the integration of new methods to adapt to changing needs.
Comprehensive library
A rich collection of example problems—including real chemical systems and model Hamiltonians—simplifies chemistry applications on quantum computers.
What is the QDK for chemistry?
QDK for chemistry is a robust toolkit that builds on the QDK foundation. It optimizes chemistry problems for quantum computers and offers interoperability across platforms.
Read the latest on the QDK for chemistry
QDK/Chemistry: A Modular Toolkit for Quantum Chemistry Applications
A technical paper announcing QDK/Chemistry as a software toolkit for quantum chemistry workflows.
Acceleration without Disruption: DFT Software as a Service
A technical paper that introduces a cloud native, GPU‑accelerated approach to density functional theory (DFT), enabling significantly faster electronic structure simulations without sacrificing accuracy.
End-to-End Quantum Simulation of a Chemical System
A technical paper that demonstrates the first end-to-end integration of high-performance computing (HPC), reliable quantum computing, and AI in a case study on catalytic reactions producing chiral molecules.
Classification of electronic structures and state preparation...
A technical paper that introduces a new way to classify electronic structures and prepare quantum states for reaction chemistry, highlighting the challenges of modeling complex molecules.
QDK for error correction
Design, test, and deploy quantum error correction codes. Use the structured framework to explore, analyze, validate, and implement your ideas.
QDK foundation
The VS Code extension, Python packages, and GitHub Copilot integration provide the powerful core functionalities of the QDK.
