We describe Qiskit, a software development kit for quantum information science.

Quantum Physics Emerging Technologies

We describe an optimal procedure, as well as its efficient software implementation, for exact and approximate synthesis of two-qubit unitary operations into any prescribed discrete family of XX-type interactions and local gates.

Quantum Physics Symplectic Geometry 81Q99, 53D45

An important building block for many quantum circuit optimization techniques is pattern matching, where given a large and a small quantum circuit, we are interested in finding all maximal matches of the small circuit, called pattern, in the large circuit, considering pairwise commutation of quantum gates.

Quantum Physics Data Structures and Algorithms

Quickly generating and predicting inorganic crystal structures is important for the discovery of new materials, which can target applications such as energy or electronic devices.

Materials Science

We present QuantumMASALA, a compact package that implements different electronic structure methods in Python.

Materials Science Computational Physics

Boltzmann generators approach the sampling problem in many-body physics by combining a normalizing flow and a statistical reweighting method to generate samples in thermodynamic equilibrium.

Statistical Mechanics

In this paper the basic functionality of PyPSA is described, including the formulation of the full power flow equations and the multi-period optimisation of operation and investment with linear power flow equations.

Physics and Society

Python is a free, easy to use a high-level programming language which has seen a huge expansion in the number of its users and developers in recent years.

General Relativity and Quantum Cosmology Cosmology and Nongalactic Astrophysics Instrumentation and Methods for Astrophysics 83-04

The recent advent of autonomous laboratories, coupled with algorithms for high-throughput screening and active learning, promises to accelerate materials discovery and innovation.

Materials Science Robotics Software Engineering

We present an open-source database of superconducting quantum device designs that may be used as the starting point for customized devices.

Quantum Physics