Related papers: IRSSG: An Open-Source Software Package for Spin Sp…
We describe the InfraRed Data Reduction (IRDR) software package, a small ANSI C library of fast image processing routines for automated pipeline reduction of infrared (dithered) observations. We developed the software to satisfy certain…
We present an implementation of the relativistic quantum-chemical density matrix renormalization group (DMRG) approach based on a matrix-product formalism. Our approach allows us to optimize matrix product state (MPS) wave functions…
Magnetism has witnessed remarkable progress in recent decades, largely driven by its potential for next-generation storage devices. However, the classification of magnetic orders, even for fundamental concepts such as ferromagnetism and…
Strong-Disorder Renormalization Group (SDRG), despite being a relatively simple real-space renormalization procedure, provides in principle exact results on the critical properties at the infinite-randomness fixed point of random quantum…
Exploring ensemble simulations is increasingly important across many scientific domains. However, supporting flexible post-hoc exploration remains challenging due to the trade-off between storing the expensive raw data and flexibly…
Neural networks offer highly expressive turbulence closures, yet their complexity obscures the physical mechanisms they aim to model, and their computational cost can limit their tractability. To address these limitations, we introduce a…
We release a set of GPU programs for the study of the Quantum ($S=1/2$) Spin Glass on a square lattice, with binary couplings. The library contains two main codes: MCQSG (that carries out Monte Carlo simulations using both the Metropolis…
Spin-density-functional theory (SDFT) is the most widely implemented and applied formulation of density-functional theory. However, it is still finding novel applications, and occasionally encounters unexpected problems. In this paper we…
Novel randomness-induced disordered ground states in two-dimensional (2D) quantum spin systems have been attracting much interest. For quantitative analysis of such random quantum spin systems, one of the most promising numerical approaches…
Iron phosphate glasses (IPG) have been proposed as futuristic glass material for nuclear waste immobilization, anode material for lithium batteries and also as bioactive glass. In the last decade, there have been attempts to propose…
We present the SLIM (https://github.com/slimgroup) open-source software framework for computational geophysics, and more generally, inverse problems based on the wave-equation (e.g., medical ultrasound). We developed a software environment…
We present a spin-dependent extension of the non-orthogonal generalized Wannier function (NGWF) formalism within the framework of linear-scaling density functional theory (LS-DFT) as implemented in the ONETEP code. In traditional LS-DFT…
We present divERGe, an open source, high-performance C/C++/Python library for functional renormalization group (FRG) calculations on lattice fermions. The versatile model interface is tailored to real materials applications and seamlessly…
We present a novel methodology to identify topologically non-trivial materials based on band inversion induced by spin-orbit coupling (SOC) effect. Specifically, we compare the density functional theory (DFT) based wavefunctions with and…
Yttrium iron garnet (YIG) is a magnetic insulator with record-low damping, allowing spin-wave transport over macroscopic distances. Doping YIG with gallium ions greatly reduces the demagnetizing field and introduces a perpendicular magnetic…
An efficient density matrix renormalization group (DMRG) algorithm is presented for the Bethe lattice with connectivity $Z = 3$ and antiferromagnetic exchange between nearest neighbor spins $s= 1/2$ or 1 sites in successive generations $g$.…
We present M-SPARC: MATLAB-Simulation Package for Ab-initio Real-space Calculations. It can perform pseudopotential spin-polarized and unpolarized Kohn-Sham Density Functional Theory (DFT) simulations for isolated systems such as molecules…
SOFTSUSY is a program which accurately calculates the spectrum of superparticles in the CP-conserving Minimal Supersymmetric Standard Model (MSSM), with a full flavour mixing structure. The program solves the renormalisation group equations…
Spin space groups (SSGs) impose fundamentally different constraints on magnetic configurations in real and reciprocal spaces. As a consequence, the correspondence between real-space and momentum-space spin arrangements is far richer than…
The Isochronous Mass Spectrometry (IMS) based on storage rings is a powerful technique for mass measurement of short-lived exotic nuclei. The transition energy $\gamma_t$ of the storage ring is a vital parameter of the IMS technique. It is…