Quantum Computing
Quantum computers are inherently powerful tools in quantum chemistry because of their ability to prepare superpositions of states and perform unitary transformations. While quantum algorithms like the quantum phase estimation (QPE) offer exponential speedup over their classical equivalents, the practical limitations of the quantum hardware restrict the range of applications to simple problems. We design chemically guided quantum algorithms that combine the power of quantum computing and insights from classical electronic structure theory to make these calculations computationally efficient. Our recently published method – LAS-UCC – leverages the local nature of electron correlation to scale better than the conventional QPE algorithms.