Related papers: IRSSG: An Open-Source Software Package for Spin Sp…
In order to allow for an efficient and flexible scientific analysis of data from the SPI imaging spectrometer aboard INTEGRAL, I developed a set of analysis executables that are publicly available through the internet. The software is fully…
The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of…
We report the latest results of searching for possible new macro-scale spin-spin-velocity-dependent forces (SSVDFs) based on specially designed iron-shielded SmCo$_5$ (ISSC) spin sources and a spin exchange relaxation free (SERF)…
SWIFTGalaxy is an open-source astrophysics module that extends SWIFTSimIO to analyses of particles belonging to individual galaxies simulated with SWIFT. It inherits from and extends the functionality of SWIFTSimIO's SWIFTDataset class. It…
Simulating the incommensurate spin density waves (ISDW) states is not a simple task within the standard \emph{ab-initio} methods. Moreover, in the context of new material discovery, there is a need for fast and reliable tool capable to scan…
We present the theory, implementation, and benchmarking of a real-time time-dependent density functional theory (RT-TDDFT) module within the RMG code, designed to simulate the electronic response of molecular systems to external…
The development of machine learning interatomic potentials has immensely contributed to the accuracy of simulations of molecules and crystals. However, creating interatomic potentials for magnetic systems that account for both magnetic…
We report APW+${lo}$ (augmented plane wave plus local orbital) density functional theory (DFT) calculations of molecule systems using the domain specific SIRIUS multi-functional DFT package. Compared to other packages the additional APW and…
We present an open-source simulation framework for optically detected magnetic resonance, developed in Python. The framework allows users to construct, manipulate, and evolve multipartite quantum systems that consist of spins and electronic…
We describe the PDFI_SS software library, which is designed to find the electric field at the Sun's photosphere from a sequence of vector magnetogram and Doppler velocity measurements, and estimates of horizontal velocities obtained from…
Reconfigurable Intelligent Surfaces (RISs) are a novel form of ultra-low power devices that are capable to increase the communication data rates as well as the cell coverage in a cost- and energy-efficient way. This is attributed to their…
The generation of input files for density functional theory (DFT) programs must often be manually done by researchers. If one wishes to produce a maximally localized wannier functions (MLWFs) the calculation consists of several separate…
Density functional theory (DFT) provides a theoretical framework for efficient and fairly accurate calculations of the electronic structure of molecules and crystals. The main features of density functional theory are described and DFT…
Reconfigurable Intelligent Surfaces (RISs) are emerging as a key enabler of Programmable Wireless Environments for 6G, but their practical integration into operational networks still lacks orchestration mechanisms that can jointly support…
Coarse-grained spin density functional theory (SDFT) is a version of SDFT which works with number/spin densities specified to a limited resolution --- averages over cells of a regular spatial partition --- and external potentials constant…
In this article we introduce PINGSoft, a set of IDL routines designed to visualise and manipulate, in an interactive and friendly way, Integral Field Spectroscopic data. The package is optimised for large databases and a fast visualisation…
The discovery of new multicomponent inorganic compounds can provide direct solutions to many scientific and engineering challenges, yet the vast size of the uncharted material space dwarfs current synthesis throughput. While the…
DSPSR is a high-performance, open-source, object-oriented, digital signal processing software library and application suite for use in radio pulsar astronomy. Written primarily in C++, the library implements an extensive range of modular…
Despite concrete indicators and targets, monitoring the progress of the UN Sustainable Development Goals (SDGs) remains a challenge, given the many different actors, initiatives, and institutions involved. OSDG, an open-source…
An efficient density matrix renormalization group (DMRG) algorithm is presented and applied to Y-junctions, systems with three arms of $n$ sites that meet at a central site. The accuracy is comparable to DMRG of chains. As in chains, new…