Related papers: Uquantchem: A versatile and easy to use Quantum Ch…
Quantum computing provides computational advantages in various domains. To benefit from these advantages complex hybrid quantum applications must be built, which comprise both quantum and classical programs. Engineering these applications…
Computations of chemical systems' equilibrium properties and non-equilibrium dynamics have been suspected of being a "killer app" for quantum computers. This review highlights the recent advancements of quantum algorithms tackling complex…
Due to the limited availability of quantum computing power in the near future, cryptographic security techniques must be developed for secure remote use of current and future quantum computing hardware. Prominent among these is Universal…
Exploiting the properties of quantum information to the benefit of machine learning models is perhaps the most active field of research in quantum computation. This interest has supported the development of a multitude of software…
Quantum computers promise to surpass the most powerful classical supercomputers when it comes to solving many critically important practical problems, such as pharmaceutical and fertilizer design, supply chain and traffic optimization, or…
SparseChem provides fast and accurate machine learning models for biochemical applications. Especially, the package supports very high-dimensional sparse inputs, e.g., millions of features and millions of compounds. It is possible to train…
Quantum computing has the potential to surpass the capabilities of current classical computers when solving complex problems. Combinatorial optimization has emerged as one of the key target areas for quantum computers as problems found in…
The magnificence grandeur of quantum computing lies in the inherent nature of quantum particles to exhibit true parallelism, which can be realized by indubitably fascinating theories of quantum physics. The possibilities opened by quantum…
Quantum programs are often shared as OpenQASM 3 circuits, but tests are still written in host languages such as Python with Qiskit. We present QUTest, a native framework in which both programs and tests are standard .qasm files. Tests…
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…
For many decades, quantum chemical method development has been dominated by algorithms which involve increasingly complex series of tensor contractions over one-electron orbital spaces. Procedures for their derivation and implementation…
Computational chemistry has become an indispensable tool for generating data and insights, pervading all branches of experimental chemistry. Its most central concept is the potential energy hypersurface, key to all chemistry and materials…
This Mathematica 5.2 package~\footnote{QDENSITY is available at http://www.pitt.edu/~tabakin/QDENSITY} is a simulation of a Quantum Computer. The program provides a modular, instructive approach for generating the basic elements that make…
Solutions of quaternionic quantum mechanics (QQM) are difficult to grasp, even in simple physical situations. In this article, we provide simple and understandable free particle quaternionic solutions, that can be easily compared to complex…
Quantum Computing (QC) is transitioning from theoretical frameworks to an indispensable powerhouse of computational capability, resulting in extensive adoption across both industrial and academic domains. QC presents exceptional advantages,…
We present a simple, accessible, yet rigorous outreach/educational program focused on quantum information science and technology for high-school and early undergraduate students. This program allows students to perform meaningful hands-on…
We present a new quantum programming language called "Quala" that enables true full-stack programming of quantum hardware. Quala allows seamless integration of abstraction layers such as the digital circuit layer and the analog control…
This PhD thesis explores the potential of quantum computing to address computational challenges in high-energy physics (HEP). As the Standard Model (SM) leaves key questions unanswered and no signs of new physics have emerged since the…
Quantum computing, with its superior computational capabilities compared to classical approaches, holds the potential to revolutionize numerous scientific domains, including pharmaceuticals. However, the application of quantum computing for…
None of the quantum computing applications imagined will ever become a reality without quantum software. Quantum programmes have, to date, been coded with ad hoc techniques. Researchers in the field of quantum software engineering are,…