Related papers: Computer Simulations of Quantum Chains
The precise description of quantum nuclear fluctuations in atomistic modelling is possible by employing path integral techniques, which involve a considerable computational overhead due to the need of simulating multiple replicas of the…
Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…
Path integral-based simulation methodologies play a crucial role for the investigation of nuclear quantum effects by means of computer simulations. However, these techniques are significantly more demanding than corresponding classical…
Classical simulations of time-dependent quantum systems are widely used in quantum control research. In particular, these simulations are commonly used to host iterative optimal control algorithms. This is convenient for algorithms that are…
Time evolution of quantum systems is of interest in physics, in chemistry, and, more recently, in computer science. Quantum computers are suggested as one route to propagating quantum systems far more efficiently than ordinary numerical…
Quantum transport simulations often use explicit, yet finite, electronic reservoirs. These should converge to the correct continuum limit, albeit with a trade-off between discretization and computational cost. Here, we study this interplay…
We set up a real-time path integral to study the evolution of quantum systems driven in real-time completely by the coupling of the system to the environment. For specifically chosen interactions, this can be interpreted as measurements…
Quantum computing has shown great potential in various quantum chemical applications such as drug discovery, material design, and catalyst optimization. Although significant progress has been made in quantum simulation of simple molecules,…
In recent publications, the author and his coworkers have shown robust approximation error estimates for B-splines of maximum smoothness and have proposed multigrid methods based on them. These methods allow to solve the linear system…
The accurate implementation of quantum gates is essential for the realisation of quantum algorithms and digital quantum simulations. This accuracy may be increased on noisy hardware through the variational optimisation of gates, however the…
Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…
The work discusses validation of properties of quantum circuits with many qubits using non-universal set of quantum gates ensuring possibility of effective simulation on classical computer. An understanding analogy between different models…
Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…
We advance the thesis that the simulation of quantum circuits is fundamentally about the efficient management of a large (potentially exponential) number of delimited continuations. The family of Scheme languages, with its efficient…
Complex quantum simulation workflows are often hindered by incompatible wavefunction representations adopted across different algorithmic frameworks. In particular, the mismatch between the first- and second-quantization formalisms prevents…
The simulation of quantum dynamics on a digital quantum computer with parameterized circuits has widespread applications in fundamental and applied physics and chemistry. In this context, using the hybrid quantum-classical algorithm,…
With the rapid progress in quantum hardware and software, the need for verification of quantum systems becomes increasingly crucial. While model checking is a dominant and very successful technique for verifying classical systems, its…
Simulating quantum circuits on classical computers is a notoriously hard, yet increasingly important task for the development and testing of quantum algorithms. In order to alleviate this inherent complexity, efficient data structures and…
Quantum computers have the potential to efficiently simulate large-scale quantum systems for which classical approaches are bound to fail. Even though several existing quantum devices now feature total qubit numbers of more than one…
Recent demonstrations of superconducting quantum computers by Google and IBM and trapped-ion computers from IonQ fueled new research in quantum algorithms, compilation into quantum circuits, and empirical algorithmics. While online access…