Related papers: Fault-Tolerant Quantum Simulations of Chemistry in…
Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…
The implementation and practicality of quantum algorithms highly hinge on the quality of operations within a quantum processor. Therefore, including realistic error models in quantum computing simulation platforms is crucial for testing…
Quantum tomography is the main method used to assess the quality of quantum information processing devices, but its complexity presents a major obstacle for the characterization of even moderately large systems. The number of experimental…
Simulating chemical systems is highly sought after and computationally challenging, as the number of degrees of freedom increases exponentially with the size of the system. Quantum computers have been proposed as a computational means to…
In this work, we present a quantum algorithm for direct first-principles simulation of electron-nuclear dynamics on a first-quantized real-space grid. Our algorithm achieves best-in-class efficiency for block-encoding the…
Accurate models for open quantum systems -- quantum states that have non-trivial interactions with their environment -- may aid in the advancement of a diverse array of fields, including quantum computation, informatics, and the prediction…
We provide an explicit recursive divide and conquer approach for simulating quantum dynamics and derive a discrete first quantized non-relativistic QED Hamiltonian based on the many-particle Pauli Fierz Hamiltonian. We apply this recursive…
In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…
Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…
Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…
Gate-level quantum circuits are often derived manually from higher level algorithms. While this suffices for small implementations and demonstrations, ultimately automatic circuit design will be required to realise complex algorithms using…
Existing quantum systems provide very limited physical qubit counts, trying to execute a quantum algorithm/circuit on them that have a higher number of logical qubits than physically available lead to a compile-time error. Given that it is…
Ionic pseudopotentials are widely used in classical simulations of materials to model the effective potential due to the nucleus and the core electrons. Modeling fewer electrons explicitly results in a reduction in the number of plane waves…
Quantum algorithms have the potential to provide exponential speedups over some of the best known classical algorithms. These speedups may enable quantum devices to solve currently intractable problems such as those in the fields of…
We compare the basic resource requirements for first and second quantized bosonic mappings in a system consisting of $N$ particles in $M$ modes. In addition to the standard binary first quantized mapping, we investigate the unary first…
Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…
As quantum computers become available to the general public, the need has arisen to train a cohort of quantum programmers, many of whom have been developing classical computer programs for most of their careers. While currently available…
Quantum simulation is widely regarded as one of the most promising routes to genuine quantum advantage, yet most existing approaches to quantum chemistry are formulated in terms of closed-system, unitary dynamics and ground-state…
The simulation of molecules is a widely anticipated application of quantum computers. However, recent studies \cite{WBCH13a,HWBT14a} have cast a shadow on this hope by revealing that the complexity in gate count of such simulations…
Quantum mechanical problems are among the hardest to simulate and, in some cases, remain intractable even for the most powerful computers. Quantum computing has emerged as a new technological platform to address such challenges, with rapid…