Polymer Physics by Quantum Computing
arXiv:2104.10102 · doi:10.1103/PhysRevLett.127.080501
Abstract
Sampling equilibrium ensembles of dense polymer mixtures is a paradigmatically hard problem in computational physics, even in lattice-based models. Here, we develop a formalism based on interacting binary tensors that allows for tackling this problem using quantum annealing machines. Our approach is general in that properties such as self-avoidance, branching, and looping can all be specified in terms of quadratic interactions of the tensors. Microstates realizations of different lattice polymer ensembles are then seamlessly generated by solving suitable discrete energy-minimization problems. This approach enables us to capitalize on the strengths of quantum annealing machines, as we demonstrate by sampling polymer mixtures from low to high densities, using the D-Wave quantum computer. Our systematic approach offers a promising avenue to harness the rapid development of quantum computers for sampling discrete models of filamentous soft-matter systems.
arXiv commentSupplementary Material Included
References in corpus (35)
- Supplementary information for "Quantum supremacy using a programmable superconducting processor"
- Quantum computational advantage using photons
- Quantum computational chemistry
- Adiabatic Quantum Computing
- Quantum Chemistry in the Age of Quantum Computing
- Quantum Annealing and Analog Quantum Computation
- Perspectives of quantum annealing: Methods and implementations
- Simulating Lattice Gauge Theories within Quantum Technologies
- Quantum chemistry calculations on a trapped-ion quantum simulator
- Quantum Simulations of Lattice Gauge Theories using Ultracold Atoms in Optical Lattices
- Cloud Quantum Computing of an Atomic Nucleus
- Quantum speedup of Monte Carlo methods
- Quantum Metropolis Sampling
- Can One Trust Quantum Simulators?
- Lattice gauge theories simulations in the quantum information era
- The prospects of quantum computing in computational molecular biology
- Accurate estimate of the critical exponent for self-avoiding walks via a fast implementation of the pivot algorithm
- Ring polymers in the melt state: the physics of crumpling
- Resource-Efficient Quantum Algorithm for Protein Folding
- Application of Quantum Annealing to Training of Deep Neural Networks
- Quantum-Assisted Learning of Hardware-Embedded Probabilistic Graphical Models
- Enumeration of self-avoiding walks on the square lattice
- Threading Dynamics of Ring Polymers in a Gel
- A cross-disciplinary introduction to quantum annealing-based algorithms
- Uncertain fate of fair sampling in quantum annealing
- Maximum-Entropy Inference with a Programmable Annealer
- Construction of Energy Functions for Lattice Heteropolymer Models: A Case Study in Constraint Satisfaction Programming and Adiabatic Quantum Optimization
- Resource Efficient Gadgets for Compiling Adiabatic Quantum Optimization Problems
- Fair Sampling by Simulated Annealing on Quantum Annealer
- Programmable Superpositions of Ising Configurations
- Dominant Reaction Pathways by Quantum Computing
- Quantum chemistry on quantum annealers
- Achieving fair sampling in quantum annealing
- Unbiased sampling of globular lattice proteins in three dimensions
- Quantum Approach to Fast Protein-Folding Time
Cited by in corpus (19)
- Quantum Annealing for Industry Applications: Introduction and Review
- Quantum Computing for Molecular Biology
- Sampling Rare Conformational Transitions with a Quantum Computer
- De Novo Design of Protein-Binding Peptides by Quantum Computing
- Sampling a rare protein transition with a hybrid classical-quantum computing algorithm
- Quantum computing for genomics: conceptual challenges and practical perspectives
- Optimization of ionic configurations in battery materials by quantum annealing
- Performance of quantum annealing for 2-SAT problems with multiple satisfying assignments
- Analyzing the Effectiveness of Quantum Annealing with Meta-Learning
- Boosting quantum annealing performance through direct polynomial unconstrained binary optimization
- Inequality constraints in variational quantum circuits with qudits
- Computing Canonical Averages with Quantum and Classical Optimizers: Thermodynamic Reweighting for QUBO Models of Physical Systems
- Folding lattice proteins confined on minimal grids using a quantum-inspired encoding
- Minor Embedding for Quantum Annealing with Reinforcement Learning
- Estimating the Number of States via the Rodeo Algorithm for Quantum Computation
- Simulating charging characteristics of lithium iron phosphate by electro-ionic optimization on a quantum annealer
- Folding lattice proteins with quantum annealing
- Quantitative analysis of the effectiveness of mid-anneal measurement in quantum annealing
- Self-assembly Monte Carlo reveals localized entanglement in giant polymer melts