Exploring Molecule-Cavity Interaction - A New Quantum Chemistry Model

Generated with AI

Researchers at Fysikum have introduced a new model that blends quantum electrodynamics and quantum chemistry to simulate interactions of molecules with optical cavities. The team, led by Associate Professor Markus Kowalewski, delved into the domain of molecular polaritons—resultant entities when molecules interact with confined light modes in nano-cavities. Their study used the Hartree-Fock ansatz, a staple in quantum chemistry, to analyze the behavior of diatomic hydrogen fluoride molecules in an optical cavity. The newly established method, named cavity Born-Oppenheimer Hartree-Fock (CBO-HF), detected a unique mechanism involving cavity-mediated dipole-dipole interactions. This mechanism underlines how local changes can influence an entire molecular ensemble. Their findings also offer an explanation for observed alterations in chemical reactivity within nano-cavities. Furthermore, the CBO-HF model sets the stage for more intricate electronic structure calculations and the possibility of performing detailed simulations of molecular assemblies coupled to cavities.

Thinking of making a move to Nordics?
Move within Nordics? Study in Nordics?
Hire in Nordics?

While we're busy getting our platform ready for everyone,
here's what you can do to stay connected and be in the loop.

Join Waitlist!

Joining is a commitment to innovation, a passion for tech, and the thrill of being the pioneer. Be among the first to embark on this journey and earn your "Nordic Pioneer" badge.

Check the News

Our news section isn't just a regular blog; it's the heartbeat of the Nordic tech ecosystem. Discover the driving forces behind the scene, from groundbreaking startups to cutting-edge research from top-tier universities.

Fill Our Survey

Moving to a new place or switching job paths is more than just a whim; it's a series of calculated decisions influenced by numerous factors. Help us understand your aspirations, challenges, and motivators.

Follow on Social Media

Our social media channels serve hot trends, insights, and announcements straight from the oven. Engage with us; we promise we're not just another brand. We listen, we share, we celebrate together.