Quantum chemistry

Leveraging the power of quantum computing to help scientists simulate complex chemical systems.

Research interests in quantum chemistry include the development and application of quantum dynamics methods based on tensor networks for studies of excited state reaction dynamics and quantum control in polyatomic systems. Applications focus on semiconductor materials for natural and artificial photosynthesis as well as the study of ligand binding interactions, allostery and reactivity in biomolecules, with emphasis on photoreceptors, olfactory receptors and water-splitting in photosystem II.

Victor Batista
John Randolph Huffman Professor of Chemistry
Sharon Hammes-Schiffer
John Gamble Kirkwood Professor of Chemistry
John Tully
Professor Emeritus of Chemistry