Physical Chemistry of Quantum Information Science
Tanya Zelevinsky, Artur F. Izmaylov, Anastassia N. Alexandrova · The Journal of Physical Chemistry A · 2023
I n this Physical Chemistry of Quantum Information Science (QIS) Virtual Special Issue, we delve into the research areas that have attracted significant attention and promise to reshape the landscape of quantum information science with a focus on molecular and materials systems.The topics explored here encompass theoretical and computational pursuits as well as cutting-edge experiments.The issue was inspired by recent innovations and discoveries in this active research field.Control of molecular quantum states has improved dramatically thanks to advances in producing cold molecular beams and trapped gas samples. 1 Manipulation of individual molecules in optical tweezers and of many-body interactions in various optical lattice configurations has opened exciting possibilities. 2 Likewise, control of quantum states has been achieved or proposed in a variety of materials, from defects in bulk materials to thin films and quantum dots and even large molecules such as dyes and fullerenes.The breadth of quantum technologies to which these molecular and materials platforms have the potential to cater is vast, including areas of sensing, computing, quantum optics, and beyond.Specifically, quantum computing may be poised to augment classical computations and offer solutions for challenging chemical problems, while quantum sensors can exhibit unprecedented sensitivity.These possibilities go beyond what is attainable with today's limited number of materials platforms, illustrating the central role of chemistry in the field of QIS.In this Virtual Special Issue, we explore quantum information science where molecular systems take center stage.We investigate the topic of quantum algorithms tailored for quantum chemistry, molecular dynamics, and statistical mechanics.This includes a quest to enhance the accuracy of classical computations for difficult chemistry problems involving strongly correlated systems in the works by A.