相关论文: TREXIO: A File Format and Library for Quantum Chem…

Quantum computing technologies promise to revolutionize calculations in many areas of physics, chemistry, and data science. Their power is expected to be especially pronounced for problems where direct analogs of a quantum system under…

Quantum parameter estimation promises a high-precision measurement in theory, however, how to design the optimal scheme in a specific scenario, especially under a practical condition, is still a serious problem that needs to be solved case…

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…

The installation of quantum chemistry software packages is commonly done manually and can be a time-consuming and complicated process. An update of the underlying Linux system requires a reinstallation in many cases and can quietly break…

Numerical physics has gained a lot of importance in the last decade, its efficiency being motivated and sustained by the growth of computational power. This paper presents a concept that is to be developed in the next few years: OpenPh.…

The Simulation Environment for Atomistic and Molecular Modeling (SEAMM) is an open-source software package written in Python that provides a graphical interface for setting up, executing, and analyzing molecular and materials simulations.…

Reservoir computing is a novel machine learning algorithm that uses a nonlinear dynamical system to efficiently learn complex temporal patterns from data. The objective of this thesis is to investigate the principles of reservoir computing…

Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are almost no standardized methods in quantum algorithmic…

This work presents a Python framework named after the General Equation of Quantum Image Encoding (GEQIE). The framework creates the image-encoding state using a unitary gate, which can later be transpiled to target quantum backends. The…

We present Trixi.jl, a Julia package for adaptive high-order numerical simulations of hyperbolic partial differential equations. Utilizing Julia's strengths, Trixi.jl is extensible, easy to use, and fast. We describe the main design choices…

TensorX is a Python library for prototyping, design, and deployment of complex neural network models in TensorFlow. A special emphasis is put on ease of use, performance, and API consistency. It aims to make available high-level components…

PySEMTools is a Python-based library for post-processing simulation data produced with high-order hexahedral elements in the context of the spectral element method in computational fluid dynamics. It aims to minimize intermediate steps…

We propose a Makefile for developing containerized $\LaTeX$ technical documents. The Makefile allows the author to execute the code that generates variables, tables and figures (results), which are then used during the $\LaTeX$ compilation,…

We introduce a tensor network library designed for classical and quantum physics simulations called Cytnx (pronounced as sci-tens). This library provides almost an identical interface and syntax for both C++ and Python, allowing users to…

Quantum computing leverages the principles of quantum mechanics to perform computations far beyond the capabilities of classical systems, particularly in fields such as cryptography and optimization. However, current quantum programming…

Developing collaborative research platforms for quantum bit control is crucial for driving innovation in the field, as they enable the exchange of ideas, data, and implementation to achieve more impactful outcomes. Furthermore, considering…

Quantum computing is emerging as an alternative computing technology, which is built on the principles of subatomic physics. In spite of continuing progress in developing increasingly more sophisticated hardware and software, access to…

Novel machine learning computational tools open new perspectives for quantum information systems. Here we adopt the open-source programming library TensorFlow to design multi-level quantum gates including a computing reservoir represented…

equilibrium-c (eqc) is a program for computing the composition of gas mixtures in chemical equilibrium. In typical usage, the program is given a known thermodynamic state, such as fixed temperature and pressure, as well as an initial…

CSVM (CSV with Metadata) is a simple file format for tabular data. The possible application domain is the same as typical spreadsheets files, but CSVM is well suited for long term storage and the inter-conversion of RAW data. CSVM embeds…