Traditional chemistry textbooks present a tidy picture: Atoms in molecules occupy fixed positions, connected by rigid rods. A molecule such as formic acid (methanoic acid, HCOOH) is imagined as two-dimensional—flat as a sheet of paper. But quantum physics tells a different story. In reality, nature resists rigidity and forces even the simplest structures into the […]
Chemistry • DIPC Computational and Theoretical Chemistry • Quantum chemistry
Quantum computers promise to change how we calculate the behavior of electrons in molecules, but for the machines we have now — noisy, limited in size and coherence — the challenge is to squeeze the most chemistry out of the least quantum hardware. Now, a new paper introduces a practical trick to do exactly that: […]
When scientists place a single molecule on a surface and move electrons in or out one at a time, quantum mechanics comes to life in vivid detail. A team of researchers used a specialized microscope to study a copper-phthalocyanine (CuPc) molecule resting on a thin layer of salt. They discovered that the salt, far from […]
Chemistry • Condensed matter • DIPC Computer Science • DIPC Electronic Properties • Quantum chemistry
Quantum chemistry is a field that dives into the behaviour of atoms and molecules at their most fundamental level, using the principles of quantum mechanics to understand how electrons interact within these systems. For researchers, one of the biggest challenges is studying systems where electrons are strongly correlated—meaning their movements are highly interdependent, like dancers […]