Computer Physics Communications

Article	Citations
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	7653
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement	4989
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	321
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	220
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	152
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations	118
Analysis methods and code for very high-precision mass measurements of unstable isotopes	111
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	110
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	110
Editorial Board	95
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media	92
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	90
A class of linearization-based collocation methods for initial value and boundary value engineering problems	76
Complete Lagrangian and set of Feynman rules for scalar leptoquarks	71
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	71
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	71
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties	68
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	66
An implicit time integration approach for simulation of corona discharges	64
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts	61
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	60
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	60
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states	59
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	57
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	55

A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	54
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	54
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	53
KLIFF: A framework to develop physics-based and machine learning interatomic potentials	52
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	51
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids	47
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	47
epiq: An open-source software for the calculation of electron-phonon interaction related properties	46
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	45
Quasi-exact ground-state extrapolation for the random-field Potts model	44
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	43
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	43
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	43
PENGEOM – A general-purpose geometry package for Monte Carlo simulation of radiation transport in complex material structures (New Version Announcement)	42
VirtualFluids – open source parallel LBM solver	42
FlashSim: A novel particle-in-cell numerical model for vacuum surface flashover simulation based on finite element method	41
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	41
On the implementation of flux limiters in algebraic frameworks	40
LinApart: Optimizing the univariate partial fraction decomposition	40
Atomistic approach to the strain field in finite-sized heterostructures	40
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	40
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	40
CDPDS: Coupled dipole method-based photonic dispersion solver	39
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell	39
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	39
FVM realization in Eulerian SPH: A comparative study within unified codebase	38
carlomat_4.0, a new version of the general purpose Monte Carlo program	38
gSeaGen code by KM3NeT: An efficient tool to propagate muons simulated with CORSIKA	36
Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations	36
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	34
Generalizable models of magnetic hysteresis via physics-aware recurrent neural networks	34
Data-driven, multi-moment fluid modeling of Landau damping	34
Analytic model for the propagation of a collisionless neutral beam	34
High order compact augmented methods for Stokes equations with different boundary conditions	33
Models of configurationally-complex alloys made simple	33
ana_cont: Python package for analytic continuation	33
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	32
Multi-expression programming for enhancing MHD heat transfer in a nanofluid-filled enclosure with heat generation and viscous dissipation	32
TBPLaS: A tight-binding package for large-scale simulation	32
A first-principles method to calculate fourth-order elastic constants of solid materials	31
TIFF: Gyrofluid turbulence in full-f and full-k	31
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions	31
Efficient computation of the magnetic field created by a toroidal volumetric current of convex cross section with application to the study of the magnetic confinement in tokamaks	31
Cache blocking strategies applied to flux reconstruction	29
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	29
Uniform patterns formation based on Gray-Scott model for 3D printing	29
Comparing open-source DEM frameworks for simulations of common bulk processes	28
DRalgo: A package for effective field theory approach for thermal phase transitions	28
Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons	28
FlexibleDecay: An automated calculator of scalar decay widths	27

Redistribution of the post-reaction internal energies in DSMC using quantum-kinetic model	27
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code	27
KANTBP 3.1: A program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel and adiabatic approaches	27
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses	27
A new version of PyWolf for the propagation of partially coherent light in media other than free space	27
Py-EFIT: A new Python package for plasma equilibrium reconstruction on EAST tokamak	27
∂PV: An end-to-end differentiable solar-cell simulator	26
Z′-explorer: A simple tool to probe Z′ models against LHC data	26
Editorial Board	25
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation	25
Editorial Board	25
Fast exact algorithm for neutrino oscillation in constant matter density	25
tinie – a software package for electronic transport through two-dimensional cavities in a magnetic field	24
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys	24
Many-core acceleration of the first-principles all-electron quantum perturbation calculations	24
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides	24
The polarimeter vector for τ → 3πν decays	24
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations	24
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides	23
Efficient calculation of thermodynamic properties of baryon-rich QCD matter from heavy-ion transport models	23
Explicit high-order exponential time integrator for discontinuous Galerkin solution of Maxwell's equations	23
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)	23
A practical guide to writing a radiative transfer code	23
Interatomic potentials for graphene reinforced metal composites: Optimal choice	23
A multi-domain lattice Boltzmann method for mesh refinement with curved boundary interfaces	23
ASTI: Data assimilation system for particle and heat transport in toroidal plasmas	23
Update of HΦ: Newly added functions and	22
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates	22
PolyHoop: Soft particle and tissue dynamics with topological transitions	22
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	22
UCNS3D: An open-source high-order finite-volume unstructured CFD solver	22
A unified machine learning approach for reconstructing hadronically decaying tau leptons	21
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking	21
pgm: A Python package for free energy calculations within the phonon gas model	21
On the evaluation of the Appell F2 double hypergeometric function	20
An immersed boundary lattice Boltzmann method on block-structured adaptive grids for the simulation of particle-laden flows on CPUs/GPUs	20
A hybrid method combining ISPH with graph neural network for simulating free-surface flows	20
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems	20
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids	19
Bit-twiddling hacks for gamma matrices	19
Animating collider processes with event-time-frame format	19
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems	19
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	19
Electrical impulse characterization along actin filaments in pathological conditions	19
nuSQuIDS: A toolbox for neutrino propagation	19
GPU-acceleration of tensor renormalization with PyTorch using CUDA	19
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates	19
ReMKiT1D - A framework for building reactive multi-fluid models of the tokamak scrape-off layer with coupled electron kinetics in 1D	19
A quadrature-based moment method for the evolution of the joint size-velocity number density function of a particle population	18
XLB: A differentiable massively parallel lattice Boltzmann library in Python	18
HoloGen: An open-source toolbox for high-speed hologram generation	18
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation	18
MaRTIn – Massive Recursive Tensor Integration	18
Peng: A program for transport properties of low-density binary gas mixtures	18
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	18
DeepFlame 2.0: A new version for fully GPU-native machine learning accelerated reacting flow simulations under low-Mach conditions	18
A comprehensive framework to enhance numerical simulations in the spectral-element code Nek5000	18
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework	18
Jupyter widgets and extensions for education and research in computational physics and chemistry	17
Spinsim: A GPU optimized python package for simulating spin-half and spin-one quantum systems	17
An efficient saddle search method for ordered phase transitions involving translational invariance	17
A brief introduction to PACIAE 4.0	17
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows	17
Nanophotonic resonance modes with the nanobem toolbox	17
Efficient computation of optical excitations in two-dimensional materials with the Xatu code	17
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration	17
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation	17
LIBAMI: Implementation of algorithmic Matsubara integration	17
A differentiable programming framework for spin models	17
BSMArt: Simple and fast parameter space scans	17
TLBfind: a Thermal Lattice Boltzmann code for concentrated emulsions with FINite-size Droplets	16
Adaptive workflow for simulation of RF heaters	16
FiniteFieldSolve: Exactly solving large linear systems in high-energy theory	16
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	16
Numerical multidimensional integration with PyMikor	16
An efficient three-dimensional mesh quality optimization method based on gradient-enhanced probabilistic model	16
Improvements in charged lepton and photon propagation for the software PROPOSAL	16
Application of stiffness confinement method within variational nodal method for solving time-dependent neutron transport equation	16
A generalized external circuit model for electrostatic particle-in-cell simulations	16
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	15

Handling shape optimization of superconducting cavities with DNMOGA	15
The LisbOn KInetics Monte Carlo solver	15
ftint: Calculating gradient-flow integrals with pySecDec	15
A fast and efficient computation method for reflective diffraction simulations	15
Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics	15
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes	15
mbsolve: An open-source solver tool for the Maxwell-Bloch equations	15
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence	15
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems	15
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP)	15
CRYSTALpytools: A Python infrastructure for the Crystal code	15
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales	15
Development of a parallel CUDA algorithm for solving 3D guiding center problems	14
A simplified conservation flux scheme for gas kinetics based on OpenFOAM framework I: Shakhov model	14
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	14
Wang-Landau simulations with non-flat distributions	14
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics	14
Implementing a neural network interatomic model with performance portability for emerging exascale architectures	14
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	14
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	14
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware	14
QuForge: A library for qudits simulation	13
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium	13
Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine	13
Numerical algorithm based on regularized equations for incompressible flow modeling and its implementation in OpenFOAM	13
Numerical simulation of thermal counterflow in superfluid helium: Investigating the effect of rotation and heat flux on the surface of the cylinder	13
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure	13
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	13
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	13
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	13
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	13
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering	13
CPAFT: A consistent parallel advancing front technique for unstructured triangular/tetrahedral mesh generation	13
Pineline: Industrialization of high-energy theory predictions	13
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	13
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media	13
Pyg4ometry: A Python library for the creation of Monte Carlo radiation transport physical geometries	13
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	13
Anisotropic fluid dynamical simulations of heavy-ion collisions	13
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	12
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	12
StringSpinner - adding spin to the PYTHIA string fragmentation	12
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	12
SSLG4: A novel scintillator simulation library for Geant4	12
Development of the General Bateman Solution using fractional calculus: A theoretical and algorithmic approach	12
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	12
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	12
Accurate-geometry-embodied finite element method for phonon Boltzmann transport equation	12
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation	12
INGRID: An interactive grid generator for 2D edge plasma modeling	12
QOptCraft: A Python package for the design and study of linear optical quantum systems	12
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework	12
Optimized parallelization of boundary integral Poisson-Boltzmann solvers	12
Multilevel Monte Carlo methods for the Grad-Shafranov free boundary problem	12
Discovery and inversion of the viscoelastic wave equation in inhomogeneous media	12
Temporal smoothing - A step forward for time-spectral methods	12
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	12
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity	12
pyBoLaNO: A Python symbolic package for normal ordering involving bosonic ladder operators	12
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations	12
A novel S /MOC collaborative method for few-group cross-section generation with versatile neutron spectral adaptability in advanced reactor physics analysis	12
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination	11
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	11
Development of a gyrokinetic hyperbolic solver based on discontinuous Galerkin method in tokamak geometry	11
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation	11
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	11
lifex-cfd: An open-source computational fluid dynamics solver for cardiovascular applications	11
A numerical algorithm for solving the coupled Schrödinger equations using inverse power method	11
An open-source coupled method for aeroacoustics modelling	11
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	11
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines	11
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	11
QuOCS: The quantum optimal control suite	11
SOD2D: A GPU-enabled Spectral Finite Elements Method for compressible scale-resolving simulations	11
FORTRESS: FORTRAN programs to solve coupled Gross-Pitaevskii equations for spin-orbit coupled spin-f Bose-Einstein condensate with spin f = 1 or 2	11
QUANTUM ESPRESSO implementation of the RPA-based functional	11
Multi-photon Monte Carlo event generator KKMCee for lepton and quark pair production in lepton colliders	11
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	11
TeNeS: Tensor network solver for quantum lattice systems	11
GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading	11
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM	11
QuantumDNA: A python package for analyzing quantum charge dynamics in DNA and exploring its biological relevance	10
Analysis of a density matrix renormalization group approach for transport in open quantum systems	10
GPU implementation of the discrete unified gas kinetic scheme for low-speed isothermal flows	10
FluTAS: A GPU-accelerated finite difference code for multiphase flows	10
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows	10
A hybrid deep learning model for optimizing particle identification systems	10
Structure-preserving parametric finite element methods for anisotropic surface diffusion flow with minimal deformation formulation	10
L-MAU: A multivariate time-series network for predicting the Cahn-Hilliard microstructure evolutions via low-dimensional approaches	10
A second-order particle Fokker-Planck model for rarefied gas flows	10
N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas	10
Efficient linear scaling mapping for permutation symmetric Fock spaces	10
CGNSDE: Conditional Gaussian neural stochastic differential equation for modeling complex systems and data assimilation	10
FSEI-GPU: GPU accelerated simulations of the fluid–structure–electrophysiology interaction in the left heart	10
Deneb: An open-source high-performance multi-physical flow solver based on high-order DRM-DG method	10