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ABACUS (Atomic-orbital Based Ab-initio Computation at USTC) is an open-source software for first-principles electronic structure calculations and molecular dynamics simulations. It mainly features density functional theory (DFT) and…

Quantum optimal control includes the family of pulse-shaping algorithms that aim to unlock the full potential of a variety of quantum technologies. Our Quantum Optimal Control Suite (QuOCS) unites experimental focus and model-based…

We introduce TensorFlow Quantum (TFQ), an open source library for the rapid prototyping of hybrid quantum-classical models for classical or quantum data. This framework offers high-level abstractions for the design and training of both…

Quantum compute is scaling fast, from cloud QPUs to high throughput GPU simulators, making it timely to prototype quantum NLP beyond toy tasks. However, devices remain qubit limited and depth limited, training can be unstable, and classical…

Quantum Physics · Physics 2025-10-09 Junhao Chen , Yifan Zhou , Hanqi Jiang , Yi Pan , Yiwei Li , Huaqin Zhao , Wei Zhang , Yingfeng Wang , Tianming Liu

The numerical simulation of the physical systems has become in recent years a fundamental tool to perform analyses and predictions in several application fields, spanning from industry to the academy. As far as large scale simulations are…

Numerical Analysis · Mathematics 2021-02-16 Giovanni Isotton , Matteo Frigo , Nicolò Spiezia , Carlo Janna

Quantum computers represent a radical technological advancement in the way information is processed by using the principles of quantum mechanics to solve very complex problems that exceed the capabilities of classical systems. However, in…

Quantum Physics · Physics 2025-08-28 Marcos Guillermo Lammers , Federico Hernán Holik , Alejandro Fernández

This document describes a quantum assembly language (QASM) called OpenQASM that is used to implement experiments with low depth quantum circuits. OpenQASM represents universal physical circuits over the CNOT plus SU(2) basis with…

Quantum Physics · Physics 2017-07-17 Andrew W. Cross , Lev S. Bishop , John A. Smolin , Jay M. Gambetta

Quantum computing (QC) is a new paradigm offering the potential of exponential speedups over classical computing for certain computational problems. Each additional qubit doubles the size of the computational state space available to a QC…

Quantum Physics · Physics 2021-03-22 Wei Tang , Teague Tomesh , Martin Suchara , Jeffrey Larson , Margaret Martonosi

Quantum computing is a game-changing technology for global academia, research centers and industries including computational science, mathematics, finance, pharmaceutical, materials science, chemistry and cryptography. Although it has seen…

Quantum Physics · Physics 2023-03-07 He-Liang Huang , Xiao-Yue Xu , Chu Guo , Guojing Tian , Shi-Jie Wei , Xiaoming Sun , Wan-Su Bao , Gui-Lu Long

We present the ALPS (Algorithms and Libraries for Physics Simulations) project, an international open source software project to develop libraries and application programs for the simulation of strongly correlated quantum lattice models…

We describe OpenFCI, an open source implementation of the full configuration-interaction method (FCI) for two-dimensional quantum dots with optional use of effective renormalized interactions. The code is written in C++ and is available…

Mesoscale and Nanoscale Physics · Physics 2008-10-16 Simen Kvaal

Quantum computing (QC) is no longer only a scientific interest but is rapidly becoming an industrially available technology that can potentially tackle the limitations of classical computing. Over the last few years, major technology giants…

Software Engineering · Computer Science 2022-11-28 Muhammad Azeem Akbar , Arif Ali Khan , Sajjad Mahmood , Saima Rafi

Since the late 2010s, quantum computers have become commercially available, and the number of services that users can run remotely via cloud servers is increasing. In Japan, several domestic superconducting quantum computing systems,…

The simulation of quantum systems is one of the flagship applications of near-term NISQ (noisy intermediate-scale quantum) computing devices. Efficiently simulating the rich, non-unitary dynamics of open quantum systems remains challenging…

Quantum Physics · Physics 2024-10-14 Colin Burdine , Enrique P. Blair

The authors present SHarmonic, a new implementation of the spherical harmonics targeted for electronic-structure calculations. Their approach is to use explicit formulas for the harmonics written in terms of normalized Cartesian…

Computational Physics · Physics 2025-10-08 Xavier Andrade , Jacopo Simoni , Yuan Ping , Tadashi Ogitsu , Alfredo A. Correa

Fault-tolerant quantum computation promises to solve outstanding problems in quantum chemistry within the next decade. Realizing this promise requires scalable tools that allow users to translate descriptions of electronic structure…

Quantum Computers, one fully realized, can represent an exponential boost in computing power. However, the computational power of the current quantum computers, referred to as Noisy Internediate Scale Quantum, or NISQ, is severely limited…

Quantum Physics · Physics 2023-02-27 George Gesek

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Quantum Computing (QC) refers to an emerging paradigm that inherits and builds with the concepts and phenomena of Quantum Mechanic (QM) with the significant potential to unlock a remarkable opportunity to solve complex and computationally…

Quantum computing exhibits the unique capability to natively and efficiently encode various natural phenomena, promising theoretical speedups of several orders of magnitude. However, not all computational tasks can be efficiently executed…

Software Engineering · Computer Science 2025-04-28 Vincenzo De Maio , Ivona Brandic , Ewa Deelman , Jürgen Cito