At Microsoft, our vision is to empower scientists with the latest AI breakthroughs. We aim to unlock their full creative potential and tackle pressing challenges through quantum computing. This vision requires combining the full power of generative AI with quantum-classical hybrid computing, augmenting every stage of the scientific method. Whether expanding knowledge research, creating better hypotheses, or accelerating experimentation and analyses, this demands a purpose-built cloud platform for science. This is why we built Azure Quantum Elements for chemistry and materials science.

Announcing Generative Chemistry and Accelerated DFT in Quantum Computing

Today, we’re excited to announce Generative Chemistry and Accelerated DFT. These innovations will expand how researchers harness the full power of quantum computing. These breakthrough capabilities will empower scientists to compress 250 years of chemistry into 25.

Generative Chemistry broadens scientific exploration horizons. Researchers can generate and explore novel molecules suited for specific industry applications. They can use the latest AI models trained on hundreds of millions of compounds. This allows for evaluating synthesis steps in a lab more efficiently — all in a matter of days rather than years.

Accelerated DFT enables researchers to expedite and scale their chemical discovery pipelines. They can simulate the quantum-mechanical properties of molecules at unprecedented speeds — an order of magnitude faster than other Density Functional Theory (DFT) codes.

This brings us closer to a new paradigm for scientific discovery through quantum computing. Advanced AI and digital tools are now more accessible than ever to scientists, students, and labs across industries. Below is our vision for how researchers will leverage these breakthrough capabilities. They will design new molecules and transform entire sectors, from consumer goods and medicine to manufacturing and energy. This will address some of our most pressing societal challenges.

Integrating AI into Every Stage of the Scientific Method with Quantum Computing

From global ambitions like reversing climate change and pioneering renewable energy sources to personal goals like living more sustainably and using healthier products, we all want to create a better world. With over 8 million scientists worldwide pioneering innovative solutions, Microsoft aims to empower them. We provide state-of-the-art digital tools to harness the full collective ingenuity of every researcher and lab around the world.

Just as generative AI has unleashed new waves of creativity with collaborative tools like Copilot, we are now bringing AI and natural language processing capabilities to science. Our goal is to integrate AI reasoning into every stage of the scientific method. This requires next-generation AI models to speed up the scientific process from hypothesis to results.

Real-World Applications and Collaborations in Quantum Computing

We are already putting our vision into practice by collaborating with Unilever. As a global leader in consumer goods, Unilever serves over 3.4 billion people daily. They harness Microsoft supercomputing and AI services to support their digital R&D transformation and product innovation.

Pioneering a New Scientific Discovery Paradigm with Quantum Computing

Generative Chemistry will unleash a new wave of creativity for scientists tasked with discovering and designing new molecules. This will enable breakthrough growth across many industries. For example, it can help an oil and gas company discover a stronger fuel additive to enhance engine longevity. It can also aid an adhesive firm in creating new chemicals that strengthen adhesion while removing unwanted residue.

Researchers can ask Generative Chemistry for molecules with desired characteristics, such as rapid degradation or easy recyclability. They receive thousands of molecular candidates refined through AI inferences and HPC simulations. This narrows down the list to a select few that show the most promise for laboratory synthesis and further exploration.

Accelerated DFT: Simplifying Quantum Chemistry

Accelerated DFT offers a simplified and more powerful quantum chemistry solution for scientists. For decades, DFT has been a popular method used across various molecular simulations. Our managed DFT service enables researchers to perform substantially faster calculations. It offers a 20-fold average increase in speed compared to PySCF, a widely used open-source DFT code.

Expanding Quantum Capabilities in Azure Quantum Elements

We continue to pioneer state-of-the-art solutions to usher in a new era of scientific discovery. Our focus remains on achieving scaled quantum computing and more breakthroughs on our path to engineering our topological qubits with inherent hardware-level stability. Earlier this year, we demonstrated the most reliable logical qubits on record, further advancing quantum computing.

Accelerating Scientific Discovery, Together

We’re committed to advancing these technologies responsibly, always focusing on innovation, empowerment, and trust. That’s why we adhere to responsible computing practices and the Microsoft AI principles. This ensures safety measures adequately account for the increasing power of AI and quantum computing.

Stay tuned for more updates as we continue to innovate and bring these transformative technologies to the forefront of scientific research and discovery.