Emerging quantum computing algorithms for quantum chemistry
Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …
equation for a variety of many‐particle systems. Quantum computing algorithms for the …
Opportunities and challenges of quantum computing for engineering optimization
Quantum computing as the emerging paradigm for scientific computing has attracted
significant research attention in the past decade. Quantum algorithms to solve the problems …
significant research attention in the past decade. Quantum algorithms to solve the problems …
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions
Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …
of novel materials. Computationally hard tasks in materials science stretch the limits of …
Quantum computation of dynamical quantum phase transitions and entanglement tomography in a lattice gauge theory
Strongly coupled gauge theories far from equilibrium may exhibit unique features that could
illuminate the physics of the early universe and of hadron and ion colliders. Studying real …
illuminate the physics of the early universe and of hadron and ion colliders. Studying real …
Measurements as a roadblock to near-term practical quantum advantage in chemistry: Resource analysis
Recent advances in quantum computing devices have brought attention to hybrid quantum-
classical algorithms like the variational quantum eigensolver (VQE) as a potential route to …
classical algorithms like the variational quantum eigensolver (VQE) as a potential route to …
Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers
Variational quantum eigensolvers (VQE) are among the most promising approaches for
solving electronic structure problems on near-term quantum computers. A critical challenge …
solving electronic structure problems on near-term quantum computers. A critical challenge …
Quantum chemistry simulation of ground-and excited-state properties of the sulfonium cation on a superconducting quantum processor
The computational description of correlated electronic structure, and particularly of excited
states of many-electron systems, is an anticipated application for quantum devices. An …
states of many-electron systems, is an anticipated application for quantum devices. An …
Toward practical quantum embedding simulation of realistic chemical systems on near-term quantum computers
Quantum computing has recently exhibited great potential in predicting chemical properties
for various applications in drug discovery, material design, and catalyst optimization …
for various applications in drug discovery, material design, and catalyst optimization …
Progress toward larger molecular simulation on a quantum computer: Simulating a system with up to 28 qubits accelerated by point-group symmetry
The exact evaluation of the molecular ground state in quantum chemistry requires an
exponentially increasing computational cost. Quantum computation is a promising way to …
exponentially increasing computational cost. Quantum computation is a promising way to …
Reduced density matrix sampling: Self-consistent embedding and multiscale electronic structure on current generation quantum computers
We investigate fully self-consistent multiscale quantum-classical algorithms on current
generation superconducting quantum computers, in a unified approach to tackle the …
generation superconducting quantum computers, in a unified approach to tackle the …