Message-passing graph neural network interatomic potentials (GNN-IPs), particularly those with equivariant representations such as NequIP, are attracting significant attention due to their data efficiency and high accuracy.

Materials Science

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

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

RETICOLO is a freeware that implements the rigorous coupled wave analysis (RCWA) for 1D (classical and conical diffraction) and 2D crossed gratings.

Optics

This leads to various bases for Bessel beams and uncovers the novel beam type with circularly symmetric energy density.

Optics Computational Physics

In this work, we introduce a fast implementation of the minimum-weight perfect matching (MWPM) decoder, the most widely used decoder for several important families of quantum error correcting codes, including surface codes.

Quantum Physics

We present an open-source software package WannierTools, a tool for investigation of novel topological materials.

Computational Physics Mesoscale and Nanoscale Physics

Fusion could be a part of future decarbonized electricity systems, but it will need to compete with other technologies.

Physics and Society

The novel system is a non-dispersive non-hydrostatic extension of the classical Saint-Venant equations.

Classical Physics Analysis of PDEs Numerical Analysis Computational Physics Fluid Dynamics

In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter physics and materials science research.

Materials Science Computational Physics