Computer Physics Communications

Article	Citations
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	6435
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	4281
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	277
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media	197
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	179
Quasi-exact ground-state extrapolation for the random-field Potts model	165
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement	130
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	102
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	97
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	96
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	95
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations	87
Analysis methods and code for very high-precision mass measurements of unstable isotopes	81
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	73
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	71
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	67
Editorial Board	65
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	65
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	63
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	60
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	57
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states	56
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	55
A class of linearization-based collocation methods for initial value and boundary value engineering problems	53
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	51

The multi-dimensional Hermite-discontinuous Galerkin method for the Vlasov–Maxwell equations	51
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts	50
KLIFF: A framework to develop physics-based and machine learning interatomic potentials	50
An implicit time integration approach for simulation of corona discharges	49
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	48
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	47
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids	45
Complete Lagrangian and set of Feynman rules for scalar leptoquarks	43
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
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties	40
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	40
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	40
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	40
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	40
Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons	39
On the implementation of flux limiters in algebraic frameworks	39
LinApart: Optimizing the univariate partial fraction decomposition	37
High order compact augmented methods for Stokes equations with different boundary conditions	37
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	37
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	36
Uniform patterns formation based on Gray-Scott model for 3D printing	36
Performance of the BGSDC integrator for computing fast ion trajectories in nuclear fusion reactors	36
Simple and efficient volume merging method for triply periodic minimal structures	36
A first-principles method to calculate fourth-order elastic constants of solid materials	36
DRalgo: A package for effective field theory approach for thermal phase transitions	36
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell	35
carlomat_4.0, a new version of the general purpose Monte Carlo program	34
Comparing open-source DEM frameworks for simulations of common bulk processes	34
Atomistic approach to the strain field in finite-sized heterostructures	34
CDPDS: Coupled dipole method-based photonic dispersion solver	33
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	33
Cache blocking strategies applied to flux reconstruction	33
TBPLaS: A tight-binding package for large-scale simulation	33
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	33
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	33
FaVAD: A software workflow for characterization and visualizing of defects in crystalline structures	32
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	32
A multi-GPU method for ADI-based fractional-step integration of incompressible Navier-Stokes equations	32
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
ana_cont: Python package for analytic continuation	30
Multi-Expression Programming for Enhancing MHD Heat Transfer in a Nanofluid-Filled Enclosure with Heat Generation and Viscous dissipation	30
Models of configurationally-complex alloys made simple	30
Data-driven, multi-moment fluid modeling of Landau damping	30
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	29
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	29
NTMpy: An open source package for solving coupled parabolic differential equations in the framework of the three-temperature model	29
pgm: A Python package for free energy calculations within the phonon gas model	29
On the evaluation of the Appell F2 double hypergeometric function	28

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

Nanophotonic resonance modes with the nanobem toolbox	16
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	16
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP)	16
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	16
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
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	15
Wang-Landau simulations with non-flat distributions	15
Implementing a neural network interatomic model with performance portability for emerging exascale architectures	15
ftint: Calculating gradient-flow integrals with pySecDec	15
Numerical algorithm based on regularized equations for incompressible flow modeling and its implementation in OpenFOAM	15
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	15
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	15
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	15
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware	15
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales	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
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	15
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	14
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure	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
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics	14
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	14
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	14
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	14
Pineline: Industrialization of high-energy theory predictions	13
QuOCS: The quantum optimal control suite	13
Development of a gyrokinetic hyperbolic solver based on discontinuous Galerkin method in tokamak geometry	13
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	13
Numerical simulation of thermal counterflow in superfluid helium: Investigating the effect of rotation and heat flux on the surface of the cylinder	13
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation	13
StringSpinner - adding spin to the PYTHIA string fragmentation	13
Multi-photon Monte Carlo event generator KKMCee for lepton and quark pair production in lepton colliders	13
Numerical solver for the time-dependent far-from-equilibrium Boltzmann equation	13
CPAFT: A consistent parallel advancing front technique for unstructured triangular/tetrahedral mesh generation	13
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines	13
QOptCraft: A Python package for the design and study of linear optical quantum systems	13
SSLG4: A novel scintillator simulation library for Geant4	13
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	13
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	13
A novel S /MOC collaborative method for few-group cross-section generation with versatile neutron spectral adaptability in advanced reactor physics analysis	12
Multilevel Monte Carlo methods for the Grad-Shafranov free boundary problem	12
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	12
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	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
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	12
Slow manifolds of classical Pauli particle enable structure-preserving geometric algorithms for guiding center dynamics	12
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	12
INGRID: An interactive grid generator for 2D edge plasma modeling	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
GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading	12
Optimized parallelization of boundary integral Poisson-Boltzmann solvers	12
Anisotropic fluid dynamical simulations of heavy-ion collisions	12
Temporal smoothing - A step forward for time-spectral methods	12
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	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
Architecture-based and target-oriented algorithm optimization of high-order methods via complete-search tensor contraction	11
The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions	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
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
An open-source coupled method for aeroacoustics modelling	11
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	11
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	11
An enhancement of the fast time-domain boundary element method for the three-dimensional wave equation	11
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation	11
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity	11
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM	11
SOD2D: A GPU-enabled Spectral Finite Elements Method for compressible scale-resolving simulations	11
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework	11
L-MAU: A multivariate time-series network for predicting the Cahn-Hilliard microstructure evolutions via low-dimensional approaches	11
3D Time-domain electromagnetic full waveform inversion in Debye dispersive medium accelerated by multi-GPU paralleling	11
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations	11
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination	11
HepLib: A C++ library for high energy physics (version 1.1)	10
FluTAS: A GPU-accelerated finite difference code for multiphase flows	10
The TMDICE Monte Carlo shower program and algorithm for jet-fragmentation via coherent medium induced radiations and scattering	10
A GPU-accelerated fast multipole method based on barycentric Lagrange interpolation and dual tree traversal	10
Analysis of a density matrix renormalization group approach for transport in open quantum systems	10
Calculation of atomic integrals between relativistic functions by means of algebraic methods	10
A method of calculating bandstructure in real-space with application to all-electron and full potential	10
A second-order particle Fokker-Planck model for rarefied gas flows	10
Deneb: An open-source high-performance multi-physical flow solver based on high-order DRM-DG method	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
Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software	10
Boson Subsidiary Solver (BoSS) v1.1	10
AICON2: A program for calculating transport properties quickly and accurately	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
A hybrid deep learning model for optimizing particle identification systems	10