Related papers: Automated Quantum Chemistry Code Generation with t…
A quantum computer is a multi-particle interferometer that comprises beam splitters at both ends and arms, where the n two-level particles undergo the interactions among them. The arms are designed so that relevant functions required to…
Hardcore functions have been used as a technical tool to construct secure cryptographic systems; however, little is known on their quantum counterpart, called quantum hardcore functions. With a new insight into fundamental properties of…
Quantum devices, from simple fixed-function tools to the ultimate goal of a universal quantum computer, will require high quality, frequent repetition of a small set of core operations, such as the preparation of entangled states. These…
Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…
Quantum computing has made tremendous improvements in both software and hardware that have sparked interest in academia and industry to realize quantum computing applications. To this end, several steps are necessary: The underlying problem…
Quantum chromodynamics (QCD) is the theory of subnuclear physics, aiming at mod- eling the strong nuclear force, which is responsible for the interactions of nuclear particles. Lattice QCD (LQCD) is the corresponding discrete formulation,…
Quantum states are very delicate, so it is likely some sort of quantum error correction will be necessary to build reliable quantum computers. The theory of quantum error-correcting codes has some close ties to and some striking differences…
The inverse design of molecules has challenged chemists for decades. In the past years, machine learning and artificial intelligence have emerged as new tools to generate molecules tailoring desired properties, but with the limit of relying…
Quantum gates are the fundamental instructions of digital quantum computers. Current programming languages, systems, and software development toolkits identify these operational gates by their titles, which requires a shared understanding…
We show how dynamical decoupling (DD) and quantum error correction (QEC) can be optimally combined in the setting of fault tolerant quantum computing. To this end we identify the optimal generator set of DD sequences designed to protect…
In this paper we propose EPOC, an efficient pulse generation framework for quantum circuits that combines ZX-Calculus, circuit partitioning, and circuit synthesis to accelerate pulse generation. Unlike previous works that focus on…
Introducing an active space approximation is inevitable for the quantum computations of chemical systems. However, this approximation ignores the electron correlations related to non-active orbitals. Here, we propose a computational method…
Quantum circuits that generate coherent superpositions of stochastic processes are key to many downstream quantum-accelerated tasks, such as risk analysis, importance sampling, and DNA sequencing. However, traditional methods for designing…
This article describes haggies, a program for the generation of optimised programs for the efficient numerical evaluation of mathematical expressions. It uses a multivariate Horner-scheme and Common Subexpression Elimination to reduce the…
Quantum codes are subspaces of the state space of a quantum system that are used to protect quantum information. Some common classes of quantum codes are stabilizer (or additive) codes, non-stabilizer (or non-additive) codes obtained from…
Immense interest in quantum computing has prompted development of electronic structure methods that are suitable for quantum hardware. However, the slow pace at which quantum hardware progresses, forces researchers to implement their ideas…
Quantum computer programming is emerging as a new subject domain from multidisciplinary research in quantum computing, computer science, mathematics (especially quantum logic, lambda calculi, and linear logic), and engineering attempts to…
We present and open source a quantum circuit simulator tailored to chemistry applications. More specifically, our simulator can compute the Born-rule probabilities of samples obtained from circuits containing passive fermionic linear…
As quantum computing hardware systems continue to advance, the research and development of performant, scalable, and extensible software architectures, languages, models, and compilers is equally as important in order to bring this novel…
Deep generative chemistry models emerge as powerful tools to expedite drug discovery. However, the immense size and complexity of the structural space of all possible drug-like molecules pose significant obstacles, which could be overcome…