Review Article
Quantum machine learning for chemistry and physics
Quantum variants of machine learning algorithms are discussed with emphasis on methodology, learning techniques and applications in broad and distinct domains of chemical physics.
Quantum algorithms for electronic structures: basis sets and boundary conditions
Quantum algorithms for electronic structure calculations are reviewed with a special focus on basis sets and boundary conditions.
Functionalization of o-carboranes via carboryne intermediates
Carborynes, 3D analogues of benzyne, are a class of very useful synthons for the synthesis of a large variety of functionalized carboranes. This review provides a comprehensive overview of recent advances in this interesting research field.
Quantum control of reactions and collisions at ultralow temperatures
At nearly absolute zero temperature, molecular reactions and collisions are completely governed by quantum mechanics and can be exquisitely controlled by external fields.
A quantum computing view on unitary coupled cluster theory
This review presents a comprehensive overview of the Unitary Coupled Cluster (UCC) ansatz and related ansätze which are used to solve the electronic structure problem on quantum computers.
About this collection
Chemistry is a molecular science that stands at the forefront of recent advances in information sciences, energy technologies, medicine, the design of novel materials, and molecular electronics. Chemistry is now poised to contribute to the burgeoning new field of quantum information science (QIS), which promises to revolutionize communications, sensing, and computing by replacing the binary classical bit with a quantum bit (qubit).
Guest Edited by Martin Kirk (University of New Mexico) and Jinlong Yang (University of Science and Technology of China), this collection of reviews highlights leading chemistry QIS research showing how molecular design principles can be used to prepare specific quantum states, entangle and manipulate qubits, and enable magnetic and optical readout of prepared quantum states.