Computer Physics Communications

Article	Citations
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media	6722
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	4471
Quasi-exact ground-state extrapolation for the random-field Potts model	286
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement	204
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	186
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	172
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	135
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	106
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations	100
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	98
Analysis methods and code for very high-precision mass measurements of unstable isotopes	98
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	97
Editorial Board	83
A class of linearization-based collocation methods for initial value and boundary value engineering problems	81
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	73
The multi-dimensional Hermite-discontinuous Galerkin method for the Vlasov–Maxwell equations	70
Complete Lagrangian and set of Feynman rules for scalar leptoquarks	69
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	68
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties	66
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	61
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids	61
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	60
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states	56
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	56
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts	55

GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	54
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	51
An implicit time integration approach for simulation of corona discharges	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	49
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	48
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	46
epiq: An open-source software for the calculation of electron-phonon interaction related properties	45
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	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	42
KLIFF: A framework to develop physics-based and machine learning interatomic potentials	42
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	41
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	41
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	41
Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons	40
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	40
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	40
Performance of the BGSDC integrator for computing fast ion trajectories in nuclear fusion reactors	39
LinApart: Optimizing the univariate partial fraction decomposition	39
A first-principles method to calculate fourth-order elastic constants of solid materials	39
High order compact augmented methods for Stokes equations with different boundary conditions	39
Comparing open-source DEM frameworks for simulations of common bulk processes	38
Atomistic approach to the strain field in finite-sized heterostructures	37
carlomat_4.0, a new version of the general purpose Monte Carlo program	37
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	37
On the implementation of flux limiters in algebraic frameworks	37
Uniform patterns formation based on Gray-Scott model for 3D printing	37
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	37
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	36
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell	36
ana_cont: Python package for analytic continuation	36
CDPDS: Coupled dipole method-based photonic dispersion solver	36
A multi-GPU method for ADI-based fractional-step integration of incompressible Navier-Stokes equations	34
Data-driven, multi-moment fluid modeling of Landau damping	34
TIFF: Gyrofluid turbulence in full-f and full-k	34
Cache blocking strategies applied to flux reconstruction	34
TBPLaS: A tight-binding package for large-scale simulation	34
Simple and efficient volume merging method for triply periodic minimal structures	34
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	33
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions	32
DRalgo: A package for effective field theory approach for thermal phase transitions	32
Models of configurationally-complex alloys made simple	31
FlexibleDecay: An automated calculator of scalar decay widths	30
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	30
NTMpy: An open source package for solving coupled parabolic differential equations in the framework of the three-temperature model	30
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)	29
A new version of PyWolf for the propagation of partially coherent light in media other than free space	29
GPU-acceleration of tensor renormalization with PyTorch using CUDA	29
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses	28
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code	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
∂PV: An end-to-end differentiable solar-cell simulator	28
Py-EFIT: A new Python package for plasma equilibrium reconstruction on EAST tokamak	27
On the evaluation of the Appell F2 double hypergeometric function	27
Fast exact algorithm for neutrino oscillation in constant matter density	27
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	27
Z′-explorer: A simple tool to probe Z′ models against LHC data	27
A unified machine learning approach for reconstructing hadronically decaying tau leptons	26
Editorial Board	26
The polarimeter vector for τ → 3πν decays	26
Explicit high-order exponential time integrator for discontinuous Galerkin solution of Maxwell's equations	26
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys	26
Editorial Board	26
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates	26
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides	25
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping	25
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations	25
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems	25
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking	25
Many-core acceleration of the first-principles all-electron quantum perturbation calculations	25
tinie – a software package for electronic transport through two-dimensional cavities in a magnetic field	24
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides	24
UCNS3D: An open-source high-order finite-volume unstructured CFD solver	24
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems	24
pgm: A Python package for free energy calculations within the phonon gas model	23
Interatomic potentials for graphene reinforced metal composites: Optimal choice	23
Update of HΦ: Newly added functions and	23
A practical guide to writing a radiative transfer code	23
nuSQuIDS: A toolbox for neutrino propagation	23
ASTI: Data assimilation system for particle and heat transport in toroidal plasmas	23
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids	22
Bit-twiddling hacks for gamma matrices	22
PolyHoop: Soft particle and tissue dynamics with topological transitions	22
A parametrized Kalman filter for fast track fitting at LHCb	22
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation	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
A hybrid method combining ISPH with graph neural network for simulating free-surface flows	22
A comprehensive framework to enhance numerical simulations in the spectral-element code Nek5000	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
Animating collider processes with event-time-frame format	21
TLBfind: a Thermal Lattice Boltzmann code for concentrated emulsions with FINite-size Droplets	21
Electrical impulse characterization along actin filaments in pathological conditions	21
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates	21
A multi-center quadrature scheme for the molecular continuum	20
Jupyter widgets and extensions for education and research in computational physics and chemistry	20
A differentiable programming framework for spin models	20
Peng: A program for transport properties of low-density binary gas mixtures	20
MaRTIn – Massive Recursive Tensor Integration	20
A brief introduction to PACIAE 4.0	20
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows	19
An efficient saddle search method for ordered phase transitions involving translational invariance	19
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	19
HoloGen: An open-source toolbox for high-speed hologram generation	19
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration	19
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	19
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework	18
Adaptive workflow for simulation of RF heaters	18
Nanophotonic resonance modes with the nanobem toolbox	18
LIBAMI: Implementation of algorithmic Matsubara integration	18
A quadrature-based moment method for the evolution of the joint size-velocity number density function of a particle population	18
Handling shape optimization of superconducting cavities with DNMOGA	18
Improvements in charged lepton and photon propagation for the software PROPOSAL	18
A generalized external circuit model for electrostatic particle-in-cell simulations	18
Calculation of five-particle harmonic-oscillator transformation brackets	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
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes	17
Numerical multidimensional integration with PyMikor	17
XLB: A differentiable massively parallel lattice Boltzmann library in Python	17
CRYSTALpytools: A Python infrastructure for the Crystal code	17
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems	17
Efficient computation of optical excitations in two-dimensional materials with the Xatu code	17
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation	17
Multiple Spatio-Temporal Attention Network: A Deep Convolutional Network for Spatio-Temporal Evolution Prediction of Flow Fields	16
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation	16
ftint: Calculating gradient-flow integrals with pySecDec	16
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	16
mbsolve: An open-source solver tool for the Maxwell-Bloch equations	16
The LisbOn KInetics Monte Carlo solver	16

Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics	16
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence	16
Wang-Landau simulations with non-flat distributions	16
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP)	16
BSMArt: Simple and fast parameter space scans	16
A fast and efficient computation method for reflective diffraction simulations	16
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	16
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales	16
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics	15
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	15
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media	15
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	15
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	15
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware	15
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	15
Implementing a neural network interatomic model with performance portability for emerging exascale architectures	15
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	15
Pyg4ometry: A Python library for the creation of Monte Carlo radiation transport physical geometries	15
Development of a parallel CUDA algorithm for solving 3D guiding center problems	15
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	15
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering	15
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium	15
Numerical algorithm based on regularized equations for incompressible flow modeling and its implementation in OpenFOAM	15
Pineline: Industrialization of high-energy theory predictions	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
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	14
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	14
SSLG4: A novel scintillator simulation library for Geant4	14
Anisotropic fluid dynamical simulations of heavy-ion collisions	14
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure	14
CPAFT: A consistent parallel advancing front technique for unstructured triangular/tetrahedral mesh generation	14
Numerical solver for the time-dependent far-from-equilibrium Boltzmann equation	14
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines	14
Multilevel Monte Carlo methods for the Grad-Shafranov free boundary problem	13
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	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
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation	13
Optimized parallelization of boundary integral Poisson-Boltzmann solvers	13
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	13
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	13
StringSpinner - adding spin to the PYTHIA string fragmentation	13
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	13
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	13
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	13
Architecture-based and target-oriented algorithm optimization of high-order methods via complete-search tensor contraction	13
Development of a gyrokinetic hyperbolic solver based on discontinuous Galerkin method in tokamak geometry	13
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	12
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	12
Multi-photon Monte Carlo event generator KKMCee for lepton and quark pair production in lepton colliders	12
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity	12
GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading	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
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination	12
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations	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
QuOCS: The quantum optimal control suite	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
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	12
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework	12
INGRID: An interactive grid generator for 2D edge plasma modeling	12
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation	12
QOptCraft: A Python package for the design and study of linear optical quantum systems	12
An open-source coupled method for aeroacoustics modelling	12
SOD2D: A GPU-enabled Spectral Finite Elements Method for compressible scale-resolving simulations	12
HepLib: A C++ library for high energy physics (version 1.1)	11
TeNeS: Tensor network solver for quantum lattice systems	11
Energy network for state estimation with random sensors and sparse labels	11
Simulation and data processing techniques to design optimized PPR systems on plasma fusion devices	11
AICON2: A program for calculating transport properties quickly and accurately	11
Multicolor reordering for computing moments in particle-in-cell plasma simulations	11
L-MAU: A multivariate time-series network for predicting the Cahn-Hilliard microstructure evolutions via low-dimensional approaches	11
A numerical algorithm for solving the coupled Schrödinger equations using inverse power method	11
Development of the General Bateman Solution using fractional calculus: A theoretical and algorithmic approach	11
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM	11
Boson Subsidiary Solver (BoSS) v1.1	11
The TMDICE Monte Carlo shower program and algorithm for jet-fragmentation via coherent medium induced radiations and scattering	11
N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas	11
ParamGULP: An efficient Python code for obtaining interatomic potential parameters for General Utility Lattice Program	11
An enhancement of the fast time-domain boundary element method for the three-dimensional wave equation	11
lifex-cfd: An open-source computational fluid dynamics solver for cardiovascular applications	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
Accurate simulation of the anisotropic dendrite crystal growth by the 3DVar data assimilation	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
BEEC2.0: An upgraded version for the production of heavy quarkonium at electron-positron collider	11
3D Time-domain electromagnetic full waveform inversion in Debye dispersive medium accelerated by multi-GPU paralleling	11
Editorial Board	10
An efficient high-order numerical solver for diffusion equations with strong anisotropy	10
The Bézier curve and neural network model of the time-domain transient signals	10
FSEI-GPU: GPU accelerated simulations of the fluid–structure–electrophysiology interaction in the left heart	10
CGNSDE: Conditional Gaussian neural stochastic differential equation for modeling complex systems and data assimilation	10
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows	10
Accelerating Markov Chain Monte Carlo sampling with diffusion models	10
FeynCalc 10: Do multiloop integrals dream of computer codes?	10