Computer Physics Communications

Papers
(The median citation count of Computer Physics Communications is 3. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-09-01 to 2025-09-01.)
ArticleCitations
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations7653
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement4989
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation321
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions220
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities152
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations118
Analysis methods and code for very high-precision mass measurements of unstable isotopes111
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction110
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations110
Editorial Board95
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media92
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism90
A class of linearization-based collocation methods for initial value and boundary value engineering problems76
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling71
Complete Lagrangian and set of Feynman rules for scalar leptoquarks71
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations71
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties68
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process66
An implicit time integration approach for simulation of corona discharges64
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts61
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods60
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation60
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states59
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis57
FeAmGen.jl: A Julia program for Feynman Amplitude Generation55
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers54
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems54
FeynMG: A FeynRules extension for scalar-tensor theories of gravity53
KLIFF: A framework to develop physics-based and machine learning interatomic potentials52
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels51
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 variants47
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids47
epiq: An open-source software for the calculation of electron-phonon interaction related properties46
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm45
Quasi-exact ground-state extrapolation for the random-field Potts model44
Evaluation of Feynman integrals with arbitrary complex masses via series expansions43
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals43
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO43
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 solver42
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters41
FlashSim: A novel particle-in-cell numerical model for vacuum surface flashover simulation based on finite element method41
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations40
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches40
On the implementation of flux limiters in algebraic frameworks40
LinApart: Optimizing the univariate partial fraction decomposition40
Atomistic approach to the strain field in finite-sized heterostructures40
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism39
CDPDS: Coupled dipole method-based photonic dispersion solver39
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell39
carlomat_4.0, a new version of the general purpose Monte Carlo program38
FVM realization in Eulerian SPH: A comparative study within unified codebase38
Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations36
gSeaGen code by KM3NeT: An efficient tool to propagate muons simulated with CORSIKA36
Analytic model for the propagation of a collisionless neutral beam34
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium34
Generalizable models of magnetic hysteresis via physics-aware recurrent neural networks34
Data-driven, multi-moment fluid modeling of Landau damping34
ana_cont: Python package for analytic continuation33
High order compact augmented methods for Stokes equations with different boundary conditions33
Models of configurationally-complex alloys made simple33
Multi-expression programming for enhancing MHD heat transfer in a nanofluid-filled enclosure with heat generation and viscous dissipation32
TBPLaS: A tight-binding package for large-scale simulation32
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain32
TIFF: Gyrofluid turbulence in full-f and full-k31
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions31
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 tokamaks31
A first-principles method to calculate fourth-order elastic constants of solid materials31
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation29
Uniform patterns formation based on Gray-Scott model for 3D printing29
Cache blocking strategies applied to flux reconstruction29
DRalgo: A package for effective field theory approach for thermal phase transitions28
Time diffusion method for gyrokinetic simulation of electrostatic turbulence with kinetic electrons28
Comparing open-source DEM frameworks for simulations of common bulk processes28
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses27
A new version of PyWolf for the propagation of partially coherent light in media other than free space27
Py-EFIT: A new Python package for plasma equilibrium reconstruction on EAST tokamak27
FlexibleDecay: An automated calculator of scalar decay widths27
Redistribution of the post-reaction internal energies in DSMC using quantum-kinetic model27
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code27
KANTBP 3.1: A program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel and adiabatic approaches27
Z′-explorer: A simple tool to probe Z′ models against LHC data26
∂PV: An end-to-end differentiable solar-cell simulator26
Fast exact algorithm for neutrino oscillation in constant matter density25
Editorial Board25
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation25
Editorial Board25
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides24
The polarimeter vector for τ → 3πν decays24
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys24
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations24
tinie – a software package for electronic transport through two-dimensional cavities in a magnetic field24
Many-core acceleration of the first-principles all-electron quantum perturbation calculations24
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides23
Efficient calculation of thermodynamic properties of baryon-rich QCD matter from heavy-ion transport models23
Explicit high-order exponential time integrator for discontinuous Galerkin solution of Maxwell's equations23
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)23
A practical guide to writing a radiative transfer code23
Interatomic potentials for graphene reinforced metal composites: Optimal choice23
A multi-domain lattice Boltzmann method for mesh refinement with curved boundary interfaces23
ASTI: Data assimilation system for particle and heat transport in toroidal plasmas23
Update of HΦ: Newly added functions and22
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates22
PolyHoop: Soft particle and tissue dynamics with topological transitions22
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors22
UCNS3D: An open-source high-order finite-volume unstructured CFD solver22
A unified machine learning approach for reconstructing hadronically decaying tau leptons21
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking21
pgm: A Python package for free energy calculations within the phonon gas model21
On the evaluation of the Appell F2 double hypergeometric function20
An immersed boundary lattice Boltzmann method on block-structured adaptive grids for the simulation of particle-laden flows on CPUs/GPUs20
A hybrid method combining ISPH with graph neural network for simulating free-surface flows20
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems20
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems19
A 1-D/3-D coupling approach for compressible non-equilibrium two-phase flows using the Baer-Nunziato model based on the Finite-Volume framework19
Electrical impulse characterization along actin filaments in pathological conditions19
nuSQuIDS: A toolbox for neutrino propagation19
GPU-acceleration of tensor renormalization with PyTorch using CUDA19
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates19
ReMKiT1D - A framework for building reactive multi-fluid models of the tokamak scrape-off layer with coupled electron kinetics in 1D19
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids19
Bit-twiddling hacks for gamma matrices19
Animating collider processes with event-time-frame format19
XLB: A differentiable massively parallel lattice Boltzmann library in Python18
HoloGen: An open-source toolbox for high-speed hologram generation18
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation18
MaRTIn – Massive Recursive Tensor Integration18
Peng: A program for transport properties of low-density binary gas mixtures18
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer18
DeepFlame 2.0: A new version for fully GPU-native machine learning accelerated reacting flow simulations under low-Mach conditions18
A comprehensive framework to enhance numerical simulations in the spectral-element code Nek500018
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework18
A quadrature-based moment method for the evolution of the joint size-velocity number density function of a particle population18
Jupyter widgets and extensions for education and research in computational physics and chemistry17
Spinsim: A GPU optimized python package for simulating spin-half and spin-one quantum systems17
An efficient saddle search method for ordered phase transitions involving translational invariance17
A brief introduction to PACIAE 4.017
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows17
Nanophotonic resonance modes with the nanobem toolbox17
Efficient computation of optical excitations in two-dimensional materials with the Xatu code17
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration17
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation17
LIBAMI: Implementation of algorithmic Matsubara integration17
A differentiable programming framework for spin models17
BSMArt: Simple and fast parameter space scans17
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials16
Numerical multidimensional integration with PyMikor16
An efficient three-dimensional mesh quality optimization method based on gradient-enhanced probabilistic model16
Improvements in charged lepton and photon propagation for the software PROPOSAL16
Application of stiffness confinement method within variational nodal method for solving time-dependent neutron transport equation16
A generalized external circuit model for electrostatic particle-in-cell simulations16
TLBfind: a Thermal Lattice Boltzmann code for concentrated emulsions with FINite-size Droplets16
Adaptive workflow for simulation of RF heaters16
FiniteFieldSolve: Exactly solving large linear systems in high-energy theory16
Handling shape optimization of superconducting cavities with DNMOGA15
The LisbOn KInetics Monte Carlo solver15
ftint: Calculating gradient-flow integrals with pySecDec15
A fast and efficient computation method for reflective diffraction simulations15
Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics15
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes15
mbsolve: An open-source solver tool for the Maxwell-Bloch equations15
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence15
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems15
São Paulo potential version 2 (SPP2) and Brazilian nuclear potential (BNP)15
CRYSTALpytools: A Python infrastructure for the Crystal code15
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales15
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions15
Development of a parallel CUDA algorithm for solving 3D guiding center problems14
A simplified conservation flux scheme for gas kinetics based on OpenFOAM framework I: Shakhov model14
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions14
Wang-Landau simulations with non-flat distributions14
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics14
Implementing a neural network interatomic model with performance portability for emerging exascale architectures14
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations14
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows14
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware14
Pineline: Industrialization of high-energy theory predictions13
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff13
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media13
Pyg4ometry: A Python library for the creation of Monte Carlo radiation transport physical geometries13
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators13
Anisotropic fluid dynamical simulations of heavy-ion collisions13
QuForge: A library for qudits simulation13
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium13
Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine13
Numerical algorithm based on regularized equations for incompressible flow modeling and its implementation in OpenFOAM13
Numerical simulation of thermal counterflow in superfluid helium: Investigating the effect of rotation and heat flux on the surface of the cylinder13
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure13
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures13
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales13
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method13
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics13
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering13
CPAFT: A consistent parallel advancing front technique for unstructured triangular/tetrahedral mesh generation13
pyBoLaNO: A Python symbolic package for normal ordering involving bosonic ladder operators12
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations12
A novel S /MOC collaborative method for few-group cross-section generation with versatile neutron spectral adaptability in advanced reactor physics analysis12
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms12
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD12
StringSpinner - adding spin to the PYTHIA string fragmentation12
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 h12
SSLG4: A novel scintillator simulation library for Geant412
Development of the General Bateman Solution using fractional calculus: A theoretical and algorithmic approach12
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm12
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons12
Accurate-geometry-embodied finite element method for phonon Boltzmann transport equation12
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation12
INGRID: An interactive grid generator for 2D edge plasma modeling12
QOptCraft: A Python package for the design and study of linear optical quantum systems12
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework12
Optimized parallelization of boundary integral Poisson-Boltzmann solvers12
Multilevel Monte Carlo methods for the Grad-Shafranov free boundary problem12
Discovery and inversion of the viscoelastic wave equation in inhomogeneous media12
Temporal smoothing - A step forward for time-spectral methods12
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations12
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity12
TeNeS: Tensor network solver for quantum lattice systems11
GPU-enabled extreme-scale turbulence simulations: Fourier pseudo-spectral algorithms at the exascale using OpenMP offloading11
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM11
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination11
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape11
Development of a gyrokinetic hyperbolic solver based on discontinuous Galerkin method in tokamak geometry11
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation11
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations11
lifex-cfd: An open-source computational fluid dynamics solver for cardiovascular applications11
A numerical algorithm for solving the coupled Schrödinger equations using inverse power method11
An open-source coupled method for aeroacoustics modelling11
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow11
CMInject: Python framework for the numerical simulation of nanoparticle injection pipelines11
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium11
QuOCS: The quantum optimal control suite11
SOD2D: A GPU-enabled Spectral Finite Elements Method for compressible scale-resolving simulations11
FORTRESS: FORTRAN programs to solve coupled Gross-Pitaevskii equations for spin-orbit coupled spin-f Bose-Einstein condensate with spin f = 1 or 211
QUANTUM ESPRESSO implementation of the RPA-based functional11
Multi-photon Monte Carlo event generator KKMCee for lepton and quark pair production in lepton colliders11
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 program11
CGNSDE: Conditional Gaussian neural stochastic differential equation for modeling complex systems and data assimilation10
FSEI-GPU: GPU accelerated simulations of the fluid–structure–electrophysiology interaction in the left heart10
Deneb: An open-source high-performance multi-physical flow solver based on high-order DRM-DG method10
QuantumDNA: A python package for analyzing quantum charge dynamics in DNA and exploring its biological relevance10
Analysis of a density matrix renormalization group approach for transport in open quantum systems10
GPU implementation of the discrete unified gas kinetic scheme for low-speed isothermal flows10
FluTAS: A GPU-accelerated finite difference code for multiphase flows10
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows10
A hybrid deep learning model for optimizing particle identification systems10
Structure-preserving parametric finite element methods for anisotropic surface diffusion flow with minimal deformation formulation10
L-MAU: A multivariate time-series network for predicting the Cahn-Hilliard microstructure evolutions via low-dimensional approaches10
A second-order particle Fokker-Planck model for rarefied gas flows10
N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas10
Efficient linear scaling mapping for permutation symmetric Fock spaces10
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