Related papers: Quantum ESPRESSO: a modular and open-source softwa…
Quantum phase is not a direct observable and is usually determined by interferometric methods. We present a method to map complete electron wave functions, including internal quantum phase information, from measured single-state probability…
We present qlbm, a Python software package designed to facilitate the development, simulation, and analysis of Quantum Lattice Boltzmann Methods (QBMs). qlbm is a modular framework that introduces a quantum component abstraction hierarchy…
Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…
Our understanding of the physics of biological molecules, such as proteins and DNA, is limited because the approximations we usually apply to model inert materials are not in general applicable to soft, chemically inhomogeneous systems. The…
Knowledge of quantum mechanical systems is becoming more important for many science and engineering students who are looking to join the emerging quantum workforce. To better prepare a wide range of students for these careers, we must seek…
The design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sophisticated computational materials modeling frameworks that…
Nowadays, quantum computing has reached the engineering phase, with fully-functional quantum processors integrating hundred of noisy qubits available. Yet -- to fully unveil the potential of quantum computing out of the labs and into…
Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…
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…
We discuss a Quantum-Enhanced Computing Continuum, a heterogeneous, hybrid architecture that integrates quantum processing units (QPUs) within an Edge-Cloud-HPC fabric. Promote sustainability by shifting from performance to "energy-aware…
Spectroscopy underpins modern scientific discovery across diverse disciplines. While experimental spectroscopy probes material properties through scattering or radiation measurements, computational spectroscopy combines theoretical models…
Quantum software engineering (QSE) is receiving increasing attention, as evidenced by increasing publications on topics, e.g., quantum software modeling, testing, and debugging. However, in the literature, quantum software requirements…
Future quantum computers will enable novel sign-problem-free studies of dynamical phenomena in non-perturbative quantum field theories, including real-time evolution and spontaneous supersymmetry breaking. We are investigating applications…
Quantum materials are driving a technology revolution in sensing, communication, and computing, while simultaneously testing many core theories of the past century. Materials such as topological insulators, complex oxides, quantum dots,…
The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of…
We detail our implementation of the random-phase-approximation based functional (RPAF) derived in our previous publication [Phys. Rev. B 110, 195151 (2024)] for the QUANTUM ESPRESSO (QE) package. We also make available the source files…
Precise measurements of parameters in the PMNS framework might lead to new physics beyond the Standard Model. However, they are incredibly challenging to determine in neutrino oscillation experiments. Quantum simulations can be a powerful…
This paper presents the definition and implementation of a quantum computer architecture to enable creating a new computational device - a quantum computer as an accelerator. In this paper, we present explicitly the idea of a quantum…
Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. Quantum computational algorithms have the potential to be an exciting new way of studying quantum cosmology. In quantum…
We present the architectural design and prototype implementation of QUT (Quantum Unit Testing), a framework for unit testing of quantum subroutines. The framework is developed with a focus on usability and simplicity, making the complex…