Computer Physics Communications

Article	Citations
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	7317
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement	4795
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	305
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	216
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	153
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations	114
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	109
Analysis methods and code for very high-precision mass measurements of unstable isotopes	109
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	105
Editorial Board	91
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media	89
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	84
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	75
A class of linearization-based collocation methods for initial value and boundary value engineering problems	70
VacuumTunneling: A package to solve bounce equation with renormalization factor	70
Complete Lagrangian and set of Feynman rules for scalar leptoquarks	65
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	65
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	64
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties	63
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	60
An implicit time integration approach for simulation of corona discharges	58
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	57
FlashSim: A novel particle-in-cell numerical model for vacuum surface flashover simulation based on finite element method	55
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	55
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states	52

PENGEOM – A general-purpose geometry package for Monte Carlo simulation of radiation transport in complex material structures (New Version Announcement)	52
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	51
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	50
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	47
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	44
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	44
KLIFF: A framework to develop physics-based and machine learning interatomic potentials	44
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	43
Quasi-exact ground-state extrapolation for the random-field Potts model	42
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	42
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	42
epiq: An open-source software for the calculation of electron-phonon interaction related properties	42
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts	41
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids	41
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	41
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	41
LinApart: Optimizing the univariate partial fraction decomposition	40
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	40
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	40
On the implementation of flux limiters in algebraic frameworks	39
Atomistic approach to the strain field in finite-sized heterostructures	39
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	39
CDPDS: Coupled dipole method-based photonic dispersion solver	38
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell	38
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	38
carlomat_4.0, a new version of the general purpose Monte Carlo program	38
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	37
Analytic model for the propagation of a collisionless neutral beam	37
TBPLaS: A tight-binding package for large-scale simulation	37
TIFF: Gyrofluid turbulence in full-f and full-k	35
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions	34
Multi-expression programming for enhancing MHD heat transfer in a nanofluid-filled enclosure with heat generation and viscous dissipation	34
Data-driven, multi-moment fluid modeling of Landau damping	34
Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons	33
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	33
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	33
Uniform patterns formation based on Gray-Scott model for 3D printing	32
Cache blocking strategies applied to flux reconstruction	32
DRalgo: A package for effective field theory approach for thermal phase transitions	31
Models of configurationally-complex alloys made simple	31
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	31
High order compact augmented methods for Stokes equations with different boundary conditions	30
KaiEDJ: A program conducting dynamical mean-field theory and magnetic force theory calculation for correlated magnetic materials	30
A multi-GPU method for ADI-based fractional-step integration of incompressible Navier-Stokes equations	29
A first-principles method to calculate fourth-order elastic constants of solid materials	29
Comparing open-source DEM frameworks for simulations of common bulk processes	29
ana_cont: Python package for analytic continuation	29
pgm: A Python package for free energy calculations within the phonon gas model	28
NTMpy: An open source package for solving coupled parabolic differential equations in the framework of the three-temperature model	28
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
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
FlexibleDecay: An automated calculator of scalar decay widths	27
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code	27
Py-EFIT: A new Python package for plasma equilibrium reconstruction on EAST tokamak	26
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	26
Editorial Board	26
Fast exact algorithm for neutrino oscillation in constant matter density	26
Editorial Board	26
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys	25
The polarimeter vector for τ → 3πν decays	25
Efficient calculation of thermodynamic properties of baryon-rich QCD matter from heavy-ion transport models	24
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations	24
tinie – a software package for electronic transport through two-dimensional cavities in a magnetic field	24
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates	24
A unified machine learning approach for reconstructing hadronically decaying tau leptons	24
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides	24
A practical guide to writing a radiative transfer code	24
Many-core acceleration of the first-principles all-electron quantum perturbation calculations	24
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking	24
ASTI: Data assimilation system for particle and heat transport in toroidal plasmas	23
UCNS3D: An open-source high-order finite-volume unstructured CFD solver	23
Update of HΦ: Newly added functions and	23
PolyHoop: Soft particle and tissue dynamics with topological transitions	22
nuSQuIDS: A toolbox for neutrino propagation	22
On the evaluation of the Appell F2 double hypergeometric function	22
A multi-domain lattice Boltzmann method for mesh refinement with curved boundary interfaces	22
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems	22
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)	22
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides	22
∂PV: An end-to-end differentiable solar-cell simulator	21
Interatomic potentials for graphene reinforced metal composites: Optimal choice	21
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems	21
Explicit high-order exponential time integrator for discontinuous Galerkin solution of Maxwell's equations	21
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids	21
A hybrid method combining ISPH with graph neural network for simulating free-surface flows	21
Z′-explorer: A simple tool to probe Z′ models against LHC data	20
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation	20
GPU-acceleration of tensor renormalization with PyTorch using CUDA	19
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates	19
Electrical impulse characterization along actin filaments in pathological conditions	19
Bit-twiddling hacks for gamma matrices	19
Spinsim: A GPU optimized python package for simulating spin-half and spin-one quantum systems	19
A quadrature-based moment method for the evolution of the joint size-velocity number density function of a particle population	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
ReMKiT1D - A framework for building reactive multi-fluid models of the tokamak scrape-off layer with coupled electron kinetics in 1D	19
Animating collider processes with event-time-frame format	19
A comprehensive framework to enhance numerical simulations in the spectral-element code Nek5000	18
XLB: A differentiable massively parallel lattice Boltzmann library in Python	18
MaRTIn – Massive Recursive Tensor Integration	18
mbsolve: An open-source solver tool for the Maxwell-Bloch equations	18
An efficient saddle search method for ordered phase transitions involving translational invariance	18
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes	18
Peng: A program for transport properties of low-density binary gas mixtures	18
HoloGen: An open-source toolbox for high-speed hologram generation	18
Calculation of five-particle harmonic-oscillator transformation brackets	17
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration	17
A parametrized Kalman filter for fast track fitting at LHCb	17
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation	17
CRYSTALpytools: A Python infrastructure for the Crystal code	17
Improvements in charged lepton and photon propagation for the software PROPOSAL	17
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	17
TLBfind: a Thermal Lattice Boltzmann code for concentrated emulsions with FINite-size Droplets	17
BSMArt: Simple and fast parameter space scans	17
DeepFlame 2.0: A new version for fully GPU-native machine learning accelerated reacting flow simulations under low-Mach conditions	17
Adaptive workflow for simulation of RF heaters	17
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework	17
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems	17
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	17
LIBAMI: Implementation of algorithmic Matsubara integration	17
Efficient computation of optical excitations in two-dimensional materials with the Xatu code	16
Handling shape optimization of superconducting cavities with DNMOGA	16
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation	16
Nanophotonic resonance modes with the nanobem toolbox	16
Numerical multidimensional integration with PyMikor	16
Application of stiffness confinement method within variational nodal method for solving time-dependent neutron transport equation	16
An efficient three-dimensional mesh quality optimization method based on gradient-enhanced probabilistic model	16
FiniteFieldSolve: Exactly solving large linear systems in high-energy theory	15
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence	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
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows	15
The LisbOn KInetics Monte Carlo solver	15
A generalized external circuit model for electrostatic particle-in-cell simulations	15
ftint: Calculating gradient-flow integrals with pySecDec	15
Wang-Landau simulations with non-flat distributions	15
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales	15
A brief introduction to PACIAE 4.0	15
A differentiable programming framework for spin models	15
Jupyter widgets and extensions for education and research in computational physics and chemistry	15
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	15
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	15
Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics	15
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP)	15
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	14
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	14
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	14
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	14
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	14
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	14
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media	14
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering	14
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium	14
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware	14
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics	14
A simplified conservation flux scheme for gas kinetics based on OpenFOAM framework I: Shakhov model	14
Implementing a neural network interatomic model with performance portability for emerging exascale architectures	14
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	14
Numerical algorithm based on regularized equations for incompressible flow modeling and its implementation in OpenFOAM	14
Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine	13
CPAFT: A consistent parallel advancing front technique for unstructured triangular/tetrahedral mesh generation	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
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
Pineline: Industrialization of high-energy theory predictions	13
Optimized parallelization of boundary integral Poisson-Boltzmann solvers	13
Slow manifolds of classical Pauli particle enable structure-preserving geometric algorithms for guiding center dynamics	13
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	13
Pyg4ometry: A Python library for the creation of Monte Carlo radiation transport physical geometries	13
Anisotropic fluid dynamical simulations of heavy-ion collisions	13
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	13
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	12
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	12
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	12
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	12
pyBoLaNO: A Python symbolic package for normal ordering involving bosonic ladder operators	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
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation	12
INGRID: An interactive grid generator for 2D edge plasma modeling	12
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation	12
Temporal smoothing - A step forward for time-spectral methods	12
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations	12
Development of the General Bateman Solution using fractional calculus: A theoretical and algorithmic approach	12
TeNeS: Tensor network solver for quantum lattice systems	12
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity	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
StringSpinner - adding spin to the PYTHIA string fragmentation	12
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	12
QuOCS: The quantum optimal control suite	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
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
An open-source coupled method for aeroacoustics modelling	12
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines	11
A numerical algorithm for solving the coupled Schrödinger equations using inverse power method	11
Development of a gyrokinetic hyperbolic solver based on discontinuous Galerkin method in tokamak geometry	11
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	11
SSLG4: A novel scintillator simulation library for Geant4	11
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	11
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM	11
lifex-cfd: An open-source computational fluid dynamics solver for cardiovascular applications	11
3D Time-domain electromagnetic full waveform inversion in Debye dispersive medium accelerated by multi-GPU paralleling	11
Accurate-geometry-embodied finite element method for phonon Boltzmann transport equation	11
QUANTUM ESPRESSO implementation of the RPA-based functional	11
SOD2D: A GPU-enabled Spectral Finite Elements Method for compressible scale-resolving simulations	11
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	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
Discovery and inversion of the viscoelastic wave equation in inhomogeneous media	11
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	11
Multi-photon Monte Carlo event generator KKMCee for lepton and quark pair production in lepton colliders	11
An efficient high-order numerical solver for diffusion equations with strong anisotropy	10
Code for molecular dynamics simulation of two dimensional Mercedes-Benz water model	10
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows	10
Efficient linear scaling mapping for permutation symmetric Fock spaces	10
ComDMFT v.2.0: Fully self-consistent ab initio GW+EDMFT for the electronic structure of correlated quantum materials	10
Analysis of a density matrix renormalization group approach for transport in open quantum systems	10
QuantumDNA: A python package for analyzing quantum charge dynamics in DNA and exploring its biological relevance	10
A method of calculating bandstructure in real-space with application to all-electron and full potential	10
N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas	10
GPU implementation of the discrete unified gas kinetic scheme for low-speed isothermal flows	10
A hybrid deep learning model for optimizing particle identification systems	10
De-noising drift chambers in CLAS12 using convolutional auto encoders	10