IBM and University Researchers Describe New Molecule Studied with Quantum Computing – HPCwire

IBM and University Researchers Describe New Molecule Studied with Quantum Computing – HPCwire

By Andrew Jolly
Publication Date: 2026-03-06 16:31:00

YORKTOWN HEIGHTS, N.Y., March 6, 2026 — An international team of scientists from IBM, The University of Manchester, Oxford University, ETH Zurich, EPFL and the University of Regensburg have created and characterized a molecule unlike any previously known — one whose electrons travel through its structure in a corkscrew-like pattern that fundamentally alters its chemical behavior. Published this week in Science, it is the first experimental observation of a half-Möbius electronic topology in a single molecule.

Dyson orbital for electron attachment, calculated using quantum hardware. Credit: IBM and the University of Manchester.

To the scientists’ knowledge, a molecule with such topology has never before been synthesized, observed, or even formally predicted. Understanding this molecule’s behavior at the electronic structure level required something equally…