Enzyme Engineering for Bioremediation

Enzyme-catalyzed bioremediation is gaining momentum as a scalable and sustainable solution to persistent environmental pollutants – but accurately simulating these reactions remains a major computational bottleneck.

In this upcoming Kvantify Qrunch webinar, Dr. Patrick Ettenhuber will demonstrate how Qrunch enables quantum-chemistry simulations of enzyme-catalyzed dehalogenation on real quantum hardware, and how Qrunch’s chemistry and reaction-path machinery can be used to encode such reactions at the quantum-chemistry level.

The webinar will construct a reaction-path problem spanning relevant molecular geometries – reactant, transition, and product states – and compute their ground-state energies using Qrunch’s builders and calculators.

The webinar will take place February 18 at 15:00–15:40.

What to Expect

• A step-by-step walkthrough of enzyme-catalyzed dehalogenation in Qrunch
• A rare look at reaction-path calculations beyond classical reach
• Practical guidance on applying quantum computing to real chemical problems

Read more about this use case at Qrunch showcases.

Who Should Join

Computational chemists, quantum scientists, drug discovery researchers, and R&D leaders interested in quantum-enabled molecular simulation are invited to join. No prior experience with quantum computing is required.

About Qrunch

Qrunch is Kvantify’s novel quantum technology, which makes running chemistry calculations on real quantum computers easier, faster, and more accessible than ever. Over the course of five episodes, our quantum experts will guide participants through Qrunch’s capabilities, demonstrate hands-on usage, and share real-world applications where Qrunch has already delivered value.