Computer Physics Communications

Article	Citations
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	6994
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement	4628
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	292
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	209
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	193
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	176
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations	148
Analysis methods and code for very high-precision mass measurements of unstable isotopes	108
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	107
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	104
Editorial Board	101
Design and implementation of a novel approach for long-lived particle reconstruction in LHCb experiment at CERN	87
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media	87
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids	79
A class of linearization-based collocation methods for initial value and boundary value engineering problems	74
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	71
Complete Lagrangian and set of Feynman rules for scalar leptoquarks	68
The multi-dimensional Hermite-discontinuous Galerkin method for the Vlasov–Maxwell equations	68
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	64
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	63
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties	63
An implicit time integration approach for simulation of corona discharges	61
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	58
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	56
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states	55

ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	52
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts	52
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	51
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	51
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	50
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	47
KLIFF: A framework to develop physics-based and machine learning interatomic potentials	47
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	43
ERCS24: An updated version of the ERCS08 program for calculations of the cross sections for atomic electron removal based on the ECPSSR theory and its variants	43
Quasi-exact ground-state extrapolation for the random-field Potts model	43
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	42
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	42
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	42
epiq: An open-source software for the calculation of electron-phonon interaction related properties	41
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	41
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	40
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	40
Performance of the BGSDC integrator for computing fast ion trajectories in nuclear fusion reactors	40
High order compact augmented methods for Stokes equations with different boundary conditions	40
LinApart: Optimizing the univariate partial fraction decomposition	40
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	39
A first-principles method to calculate fourth-order elastic constants of solid materials	39
Atomistic approach to the strain field in finite-sized heterostructures	38
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	38
On the implementation of flux limiters in algebraic frameworks	38
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell	37
carlomat_4.0, a new version of the general purpose Monte Carlo program	37
TBPLaS: A tight-binding package for large-scale simulation	37
CDPDS: Coupled dipole method-based photonic dispersion solver	37
A multi-GPU method for ADI-based fractional-step integration of incompressible Navier-Stokes equations	37
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	37
TIFF: Gyrofluid turbulence in full-f and full-k	37
Comparing open-source DEM frameworks for simulations of common bulk processes	36
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions	36
Simple and efficient volume merging method for triply periodic minimal structures	35
Data-driven, multi-moment fluid modeling of Landau damping	35
Cache blocking strategies applied to flux reconstruction	34
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	34
DRalgo: A package for effective field theory approach for thermal phase transitions	33
Uniform patterns formation based on Gray-Scott model for 3D printing	33
Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons	32
ana_cont: Python package for analytic continuation	32
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation	30
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	30
Models of configurationally-complex alloys made simple	30
Interatomic potentials for graphene reinforced metal composites: Optimal choice	30
Analytic model for the propagation of a collisionless neutral beam	30
FlexibleDecay: An automated calculator of scalar decay widths	29
pgm: A Python package for free energy calculations within the phonon gas model	29
NTMpy: An open source package for solving coupled parabolic differential equations in the framework of the three-temperature model	29

GPU-acceleration of tensor renormalization with PyTorch using CUDA	29
A new version of PyWolf for the propagation of partially coherent light in media other than free space	28
KANTBP 3.1: A program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel and adiabatic approaches	28
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code	28
Py-EFIT: A new Python package for plasma equilibrium reconstruction on EAST tokamak	27
Editorial Board	27
Editorial Board	27
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	27
A unified machine learning approach for reconstructing hadronically decaying tau leptons	27
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses	27
Fast exact algorithm for neutrino oscillation in constant matter density	27
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys	27
Many-core acceleration of the first-principles all-electron quantum perturbation calculations	26
The polarimeter vector for τ → 3πν decays	26
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems	26
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations	26
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates	26
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking	25
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides	25
tinie – a software package for electronic transport through two-dimensional cavities in a magnetic field	25
Update of HΦ: Newly added functions and	24
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)	24
A hybrid method combining ISPH with graph neural network for simulating free-surface flows	24
UCNS3D: An open-source high-order finite-volume unstructured CFD solver	24
ASTI: Data assimilation system for particle and heat transport in toroidal plasmas	24
A practical guide to writing a radiative transfer code	24
nuSQuIDS: A toolbox for neutrino propagation	23
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides	23
Explicit high-order exponential time integrator for discontinuous Galerkin solution of Maxwell's equations	22
Z′-explorer: A simple tool to probe Z′ models against LHC data	22
Bit-twiddling hacks for gamma matrices	22
On the evaluation of the Appell F2 double hypergeometric function	22
∂PV: An end-to-end differentiable solar-cell simulator	22
A 1-D/3-D coupling approach for compressible non-equilibrium two-phase flows using the Baer-Nunziato model based on the Finite-Volume framework	22
PolyHoop: Soft particle and tissue dynamics with topological transitions	22
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems	22
Efficient calculation of thermodynamic properties of baryon-rich QCD matter from heavy-ion transport models	22
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids	22
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration	21
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates	21
Electrical impulse characterization along actin filaments in pathological conditions	21
An efficient saddle search method for ordered phase transitions involving translational invariance	21
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	21
Spinsim: A GPU optimized python package for simulating spin-half and spin-one quantum systems	21
ReMKiT1D - A framework for building reactive multi-fluid models of the tokamak scrape-off layer with coupled electron kinetics in 1D	21
HoloGen: An open-source toolbox for high-speed hologram generation	21
Animating collider processes with event-time-frame format	21
A brief introduction to PACIAE 4.0	21
A parametrized Kalman filter for fast track fitting at LHCb	20
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework	20
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes	19
TLBfind: a Thermal Lattice Boltzmann code for concentrated emulsions with FINite-size Droplets	19
mbsolve: An open-source solver tool for the Maxwell-Bloch equations	19
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems	19
LIBAMI: Implementation of algorithmic Matsubara integration	19
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation	19
BSMArt: Simple and fast parameter space scans	19
Handling shape optimization of superconducting cavities with DNMOGA	19
Numerical multidimensional integration with PyMikor	18
Adaptive workflow for simulation of RF heaters	18
Calculation of five-particle harmonic-oscillator transformation brackets	18
Improvements in charged lepton and photon propagation for the software PROPOSAL	18
A quadrature-based moment method for the evolution of the joint size-velocity number density function of a particle population	18
Nanophotonic resonance modes with the nanobem toolbox	17
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	17
A comprehensive framework to enhance numerical simulations in the spectral-element code Nek5000	17
Efficient computation of optical excitations in two-dimensional materials with the Xatu code	17
The LisbOn KInetics Monte Carlo solver	17
A differentiable programming framework for spin models	17
MaRTIn – Massive Recursive Tensor Integration	17
Jupyter widgets and extensions for education and research in computational physics and chemistry	17
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation	17
A generalized external circuit model for electrostatic particle-in-cell simulations	17
CRYSTALpytools: A Python infrastructure for the Crystal code	17
Peng: A program for transport properties of low-density binary gas mixtures	17
Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics	17
FiniteFieldSolve: Exactly solving large linear systems in high-energy theory	17
Application of stiffness confinement method within variational nodal method for solving time-dependent neutron transport equation	17
An efficient three-dimensional mesh quality optimization method based on gradient-enhanced probabilistic model	16
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP)	16

Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	16
XLB: A differentiable massively parallel lattice Boltzmann library in Python	16
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales	16
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence	16
ftint: Calculating gradient-flow integrals with pySecDec	16
DeepFlame 2.0: A new version for fully GPU-native machine learning accelerated reacting flow simulations under low-Mach conditions	16
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows	16
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	16
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	15
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	15
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering	15
Implementing a neural network interatomic model with performance portability for emerging exascale architectures	15
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	15
A fast and efficient computation method for reflective diffraction simulations	15
Development of a parallel CUDA algorithm for solving 3D guiding center problems	15
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	15
Wang-Landau simulations with non-flat distributions	15
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics	15
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware	15
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	15
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure	14
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	14
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	14
Numerical simulation of thermal counterflow in superfluid helium: Investigating the effect of rotation and heat flux on the surface of the cylinder	14
Slow manifolds of classical Pauli particle enable structure-preserving geometric algorithms for guiding center dynamics	14
Numerical algorithm based on regularized equations for incompressible flow modeling and its implementation in OpenFOAM	14
Pyg4ometry: A Python library for the creation of Monte Carlo radiation transport physical geometries	14
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media	14
CPAFT: A consistent parallel advancing front technique for unstructured triangular/tetrahedral mesh generation	14
Anisotropic fluid dynamical simulations of heavy-ion collisions	14
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	14
Pineline: Industrialization of high-energy theory predictions	14
A simplified conservation flux scheme for gas kinetics based on OpenFOAM framework I: Shakhov model	14
Numerical solver for the time-dependent far-from-equilibrium Boltzmann equation	14
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium	14
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	13
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	13
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	13
Development of a gyrokinetic hyperbolic solver based on discontinuous Galerkin method in tokamak geometry	13
Molecular arrangement and fringe identification and analysis from molecular dynamics (MAFIA-MD): A tool for analyzing the molecular structures formed during reactive molecular dynamics simulation of h	13
Axially-deformed solution of the Skyrme-Hartree-Fock-Bogoliubov equations using the transformed harmonic oscillator basis (IV) hfbtho (v4.0): A new version of the program	13
Multilevel Monte Carlo methods for the Grad-Shafranov free boundary problem	13
A novel S /MOC collaborative method for few-group cross-section generation with versatile neutron spectral adaptability in advanced reactor physics analysis	13
Temporal smoothing - A step forward for time-spectral methods	13
INGRID: An interactive grid generator for 2D edge plasma modeling	13
Architecture-based and target-oriented algorithm optimization of high-order methods via complete-search tensor contraction	13
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	13
Optimized parallelization of boundary integral Poisson-Boltzmann solvers	13
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation	13
StringSpinner - adding spin to the PYTHIA string fragmentation	13
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	13
Multi-photon Monte Carlo event generator KKMCee for lepton and quark pair production in lepton colliders	12
An open-source coupled method for aeroacoustics modelling	12
Development of the General Bateman Solution using fractional calculus: A theoretical and algorithmic approach	12
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	12
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM	12
FORTRESS: FORTRAN programs to solve coupled Gross-Pitaevskii equations for spin-orbit coupled spin-f Bose-Einstein condensate with spin f = 1 or 2	12
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations	12
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity	12
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines	12
TeNeS: Tensor network solver for quantum lattice systems	12
SOD2D: A GPU-enabled Spectral Finite Elements Method for compressible scale-resolving simulations	12
GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading	12
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination	12
QOptCraft: A Python package for the design and study of linear optical quantum systems	12
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	12
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework	12
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	12
SSLG4: A novel scintillator simulation library for Geant4	12
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation	12
QuOCS: The quantum optimal control suite	12
lifex-cfd: An open-source computational fluid dynamics solver for cardiovascular applications	11
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	11
3D Time-domain electromagnetic full waveform inversion in Debye dispersive medium accelerated by multi-GPU paralleling	11
Simulation and data processing techniques to design optimized PPR systems on plasma fusion devices	11
N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas	11
The TMDICE Monte Carlo shower program and algorithm for jet-fragmentation via coherent medium induced radiations and scattering	11
Calculation of atomic integrals between relativistic functions by means of algebraic methods	11
Discovery and inversion of the viscoelastic wave equation in inhomogeneous media	11
An enhancement of the fast time-domain boundary element method for the three-dimensional wave equation	11
ParamGULP: An efficient Python code for obtaining interatomic potential parameters for General Utility Lattice Program	11
Boson Subsidiary Solver (BoSS) v1.1	11
Multicolor reordering for computing moments in particle-in-cell plasma simulations	11
Energy network for state estimation with random sensors and sparse labels	11
HepLib: A C++ library for high energy physics (version 1.1)	11
QUANTUM ESPRESSO implementation of the RPA-based functional	11
A numerical algorithm for solving the coupled Schrödinger equations using inverse power method	11
Comment on ‘Symbolic integration of a product of two spherical Bessel functions with an additional exponential and polynomial factor’ by B. Gebremariam, T. Duguet and S.K. Bogner	11
BEEC2.0: An upgraded version for the production of heavy quarkonium at electron-positron collider	11
FlexibleSUSY extended to automatically compute physical quantities in any beyond the standard model theory: Charged lepton flavor violation processes, Higgs decays, and user-defined observables	11
Accurate simulation of the anisotropic dendrite crystal growth by the 3DVar data assimilation	11
The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions	10
An efficient high-order numerical solver for diffusion equations with strong anisotropy	10
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows	10
CGNSDE: Conditional Gaussian neural stochastic differential equation for modeling complex systems and data assimilation	10