Related papers: QCMATH: Mathematica modules for electronic structu…
As the field of Quantum Computing continues to grow, so too has the general public's interest in testing some of the publicly available quantum computers. However, many might find learning all of the supplementary information that goes into…
Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…
We introduce an open source software package UniversalQCompiler written in Mathematica that allows the decomposition of arbitrary quantum operations into a sequence of single-qubit rotations (with arbitrary rotation angles) and…
Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…
One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena like: high temperature superconductivity, solid-state…
Quantum Software (QSW) uses the principles of quantum mechanics, specifically programming quantum bits (qubits) that manipulate quantum gates, to implement quantum computing systems. QSW has become a specialized field of software…
Quantum subspace methods (QSMs) are a class of quantum computing algorithms where the time-independent Schrodinger equation for a quantum system is projected onto a subspace of the underlying Hilbert space. This projection transforms the…
As a powerful tool in scientific computation, Mathematica offers us algebraic computation, but it does not provide functions to directly calculate commutators in quantum mechanics. Different from present software packets to deal with…
We introduce isQ, a new software stack for quantum programming in an imperative programming language, also named isQ. The aim of isQ is to make the programmers write quantum programs as conveniently as possible. In particular: 1) The isQ…
Quantum computing is a technology that promises to offer significant advantages during the coming decades. Though the technology is still in a prototype stage, the last few years have seen many of these prototype devices become accessible…
A new physical implementation for quantum computation is proposed. The vibrational modes of molecules are used to encode qubit systems. Global quantum logic gates are realized using shaped femtosecond laser pulses which are calculated…
Quantum Computing promises accelerated simulation of certain classes of problems, in particular in plasma physics. Given the nascent interest in applying quantum computing techniques to study plasma systems, a compendium of the relevant…
Quantum computing is a highly abstract scientific discipline, which, however, is expected to have great practical relevance in future information technology. This forces educators to seek new methods to teach quantum computing for students…
Developing high-performance materials is critical for diverse energy applications to increase efficiency, improve sustainability and reduce costs. Classical computational methods have enabled important breakthroughs in energy materials…
We introduce a novel open-source software package QForte, a comprehensive development tool for new quantum simulation algorithms. QForte incorporates functionality for handling molecular Hamiltonians, fermionic encoding, ansatz…
By leveraging quantum-mechanical properties like superposition, entanglement, and interference, quantum computing (QC) offers promising solutions for problems that classical computing has not been able to solve efficiently, such as drug…
Quantum engineering seeks to exploit quantum information to build, among others, computing, cybersecurity, and metrology technologies. Quantum Software Engineering (QSE) focuses on the information processing side of these technologies.…
Quantum computational chemistry (QCC) is the use of quantum computers to solve problems in computational quantum chemistry. We develop a high performance variational quantum eigensolver (VQE) simulator for simulating quantum computational…
Bioelectrochemistry is crucial for understanding biological functions and driving applications in synthetic biology, healthcare, and catalysis. However, current simulation methods fail to capture both the stochastic nature of molecular…
Quantum computing systems depend on the principles of quantum mechanics to perform multiple challenging tasks more efficiently than their classical counterparts. In classical software engineering, the software life cycle is used to document…