Prospects for NMR Spectral Prediction on Fault-Tolerant Quantum Computers
arXiv:2406.09340 · doi:10.1103/km66-ltpl
Abstract
Advanced atomic magnetometers have made it possible to acquire nuclear magnetic resonance spectra in zero to ultralow magnetic fields. This regime carries the benefit of compact, low-cost instrumentation with reduced spin relaxation effects and the ability to probe phenomena that are inaccessible in conventional high-field experiments. A tradeoff is that the resulting spectra must be interpreted using simulations that are taxing for classical computation. Working by example for small-molecule and protein spectroscopy, we demonstrate that these simulations are a promising target for fault-tolerant quantum computation. Our holistic analysis spans from input selection to the construction of explicit circuits for qubitized quantum dynamics. By maintaining parity with experimental requirements, we demonstrate how certain cases might be especially promising for early fault-tolerant architectures.
arXiv commentSubstantial update to previous version
References in corpus (56)
- Efficient classical simulation of slightly entangled quantum computations
- Efficient simulation of one-dimensional quantum many-body systems
- The ITensor Software Library for Tensor Network Calculations
- Time-dependent variational principle for quantum lattices
- Hamiltonian Simulation by Qubitization
- Matrix Product States and Projected Entangled Pair States: Concepts, Symmetries, and Theorems
- Unifying time evolution and optimization with matrix product states
- Optimal Hamiltonian Simulation by Quantum Signal Processing
- Simulating Hamiltonian dynamics with a truncated Taylor series
- How to factor 2048 bit RSA integers in 8 hours using 20 million noisy qubits
- Time-evolution methods for matrix-product states
- Surface code quantum computing by lattice surgery
- Toward the first quantum simulation with quantum speedup
- A Theory of Trotter Error
- High-threshold and low-overhead fault-tolerant quantum memory
- A Game of Surface Codes: Large-Scale Quantum Computing with Lattice Surgery
- Encoding Electronic Spectra in Quantum Circuits with Linear T Complexity
- Time-evolving a matrix product state with long-ranged interactions
- Quantum Low-Density Parity-Check Codes
- Even more efficient quantum computations of chemistry through tensor hypercontraction
- Spin liquid phase of the Heisenberg model on the triangular lattice
- Post-Matrix Product State Methods: To tangent space and beyond
- Competing Spin Liquid States in the Spin- Heisenberg Model On Triangular Lattice
- Chemical Basis of Trotter-Suzuki Errors in Quantum Chemistry Simulation
- Tangent-space methods for uniform matrix product states
- Iterative Quantum Amplitude Estimation
- What limits the simulation of quantum computers?
- Strategies for solving the Fermi-Hubbard model on near-term quantum computers
- Parahydrogen enhanced zero-field nuclear magnetic resonance
- Efficient phase-factor evaluation in quantum signal processing
- Efficient magic state factories with a catalyzed |CCZ> to 2|T> transformation
- A magic state's fidelity can be superior to the operations that created it
- A density-matrix renormalization group algorithm for simulating quantum circuits with a finite fidelity
- Breaking the entanglement barrier: Tensor network simulation of quantum transport
- Measurement of Untruncated Nuclear Spin Interactions via Zero- to Ultra-Low-Field Nuclear Magnetic Resonance
- Efficient Fully-Coherent Quantum Signal Processing Algorithms for Real-Time Dynamics Simulation
- Optimised Trotter Decompositions for Classical and Quantum Computing
- On the accuracy of the state space restriction approximation for spin dynamics simulations
- Local Realistic Model for the Dynamics of Bulk-Ensemble NMR Information Processing
- Spectral function of the Heisenberg model on the triangular lattice
- Destructive Error Interference in Product-Formula Lattice Simulation
- Time-dependent Hamiltonian Simulation of Highly Oscillatory Dynamics and Superconvergence for Schrödinger Equation
- Open System Tensor Networks and Kramers' Crossover for Quantum Transport
- A Method for Measurement of Spin-Spin Couplings with sub-mHz Precision Using Zero- to Ultralow-Field Nuclear Magnetic Resonance
- Quantum algorithm for time-dependent Hamiltonian simulation by permutation expansion
- Matrix product states approaches to operator spreading in ergodic quantum systems
- Zero- to Ultralow-field Nuclear Magnetic Resonance
- Quantum approximate Bayesian computation for NMR model inference
- Digital quantum simulation of NMR experiments
- Quantum computation of molecular structure using data from challenging-to-classically-simulate nuclear magnetic resonance experiments
- Average-case Speedup for Product Formulas
- Co-Design quantum simulation of nanoscale NMR
- Adaptive Trotterization for time-dependent Hamiltonian quantum dynamics using piecewise conservation laws
- Efficient and practical Hamiltonian simulation from time-dependent product formulas
- Resource-optimized fault-tolerant simulation of the Fermi-Hubbard model and high-temperature superconductor models
- Platform tailored co-design of gate-based quantum simulation