The Nobel Prize in chemistry for 2023 goes to three scientists "for the discovery and synthesis of quantum dots." The Conversation Weekly podcast caught up with one of this trio, physical chemist ...

QClairvoyance Quantum Labs has performed chemically precise simulations of eight small molecules on an actual quantum ...

Computational quantum chemistry encompasses a suite of theoretical and numerical methods for predicting electronic structure, molecular properties and reaction mechanisms from first principles.

Quantum effects can play an important role in chemical reactions. Physicists have now observed a quantum mechanical tunneling reaction in experiments. The observation can also be described exactly in ...

Elaine Li and Xiuling Li will co-direct the new Texas Quantum Institute. The University of Texas at Austin is boosting its commitment to research and education in quantum science and engineering by ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Martirez simplifies those calculations by computationally “carving out” a cluster of just 16 to 30 atoms around a defect and ...

The scale of chemistry simulations with quantum computing has increased dramatically in just the last few months. In the latest milestone for the field, researchers from Cleveland Clinic, RIKEN, and ...