Quantum chemistry in the age of quantum computing

Y Cao, J Romero, JP Olson, M Degroote… - Chemical …, 2019 - ACS Publications
Practical challenges in simulating quantum systems on classical computers have been
widely recognized in the quantum physics and quantum chemistry communities over the …

Quantum computational chemistry

S McArdle, S Endo, A Aspuru-Guzik, SC Benjamin… - Reviews of Modern …, 2020 - APS
One of the most promising suggested applications of quantum computing is solving
classically intractable chemistry problems. This may help to answer unresolved questions …

Theory of trotter error with commutator scaling

AM Childs, Y Su, MC Tran, N Wiebe, S Zhu - Physical Review X, 2021 - APS
The Lie-Trotter formula, together with its higher-order generalizations, provides a direct
approach to decomposing the exponential of a sum of operators. Despite significant effort …

Quantum algorithms for quantum dynamics

A Miessen, PJ Ollitrault, F Tacchino… - Nature Computational …, 2023 - nature.com
Among the many computational challenges faced across different disciplines, quantum-
mechanical systems pose some of the hardest ones and offer a natural playground for the …

Fault-tolerant quantum simulations of chemistry in first quantization

Y Su, DW Berry, N Wiebe, N Rubin, R Babbush - PRX Quantum, 2021 - APS
Quantum simulations of chemistry in first quantization offer some important advantages over
approaches in second quantization including faster convergence to the continuum limit and …

Quantum algorithm for simulating real time evolution of lattice Hamiltonians

J Haah, MB Hastings, R Kothari, GH Low - SIAM Journal on Computing, 2021 - SIAM
We study the problem of simulating the time evolution of a lattice Hamiltonian, where the
qubits are laid out on a lattice and the Hamiltonian only includes geometrically local …

Nearly optimal lattice simulation by product formulas

AM Childs, Y Su - Physical review letters, 2019 - APS
We consider simulating an n-qubit Hamiltonian with nearest-neighbor interactions evolving
for time t on a quantum computer. We show that this simulation has gate complexity (nt) 1+ o …

Simulating quantum materials with digital quantum computers

LB Oftelie, M Urbanek, M Metcalf, J Carter… - Quantum Science …, 2021 - iopscience.iop.org
Quantum materials exhibit a wide array of exotic phenomena and practically useful
properties. A better understanding of these materials can provide deeper insights into …

[PDF][PDF] Time-dependent Hamiltonian simulation with -norm scaling

DW Berry, AM Childs, Y Su, X Wang, N Wiebe - Quantum, 2020 - quantum-journal.org
The difficulty of simulating quantum dynamics depends on the norm of the Hamiltonian.
When the Hamiltonian varies with time, the simulation complexity should only depend on …

Hybridized methods for quantum simulation in the interaction picture

A Rajput, A Roggero, N Wiebe - Quantum, 2022 - quantum-journal.org
Conventional methods of quantum simulation involve trade-offs that limit their applicability to
specific contexts where their use is optimal. In particular, the interaction picture simulation …