Computer Physics Communications

Article	Citations
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	222
Editorial Board	175
Quasi-exact ground-state extrapolation for the random-field Potts model	163
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	131
PARSE: Physical attribute representativity and stationarity evaluator open-source library for 3D images using scalar and vector metrics	123
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	118
A class of linearization-based collocation methods for initial value and boundary value engineering problems	109
PENGEOM – A general-purpose geometry package for Monte Carlo simulation of radiation transport in complex material structures (New Version Announcement)	107
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	103
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	92
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	92
An implicit time integration approach for simulation of corona discharges	89
IRAND-Sim-02: A flexible GUI-based simulation package for the IRAND (IRan ANtineutrino Detector)	86
A multiscale stochastic particle method based on the Fokker-Planck model for diatomic gas flows	75
NGAMMA: A Monte Carlo generator for multiphoton production in e+e− annihilation	70
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	69
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	69
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	67
A massive MPI parallel adaptive resolution SPH method for large-scale multiphase flow simulations	66
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	62
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	62
Best of both worlds: Enforcing detailed balance in machine learning models of transition rates	60
VacuumTunneling: A package to solve bounce equation with renormalization factor	60
Design and implementation of a novel approach for long-lived particle reconstruction in LHCb experiment at CERN	58
Physics-aware POD-based learning for Ab initio QEM-Galerkin simulations of periodic nanostructures	58

Surrogate-based multilevel Monte Carlo methods for uncertainty quantification in the Grad-Shafranov free boundary problem	58
On the development of OpenFOAM solvers for simulating MHD micropolar fluid flows with or without the effect of micromagnetorotation	57
Gas-kinetic scheme for compressible gas-particle system with coarse grained discrete element method	56
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	56
SimOS: A Python framework for simulations of optically addressable spins	55
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	51
HOS-NWT: an open-source numerical wave tank based on the High-Order Spectral method	48
Microcanonical simulated annealing: Massively parallel Monte Carlo simulations with sporadic random-number generation	48
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	47
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	46
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	46
Generative artificial intelligence for air shower simulation	45
epiq: An open-source software for the calculation of electron-phonon interaction related properties	41
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	41
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	40
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	40
VirtualFluids – open source parallel LBM solver	40
HTEM: High-throughput toolkit for elasticity modeling	39
Global constraints preserving Lagrange multiplier approach for the incompressible flow-coupled phase-field vesicle membrane models	39
FlashSim: A novel particle-in-cell numerical model for vacuum surface flashover simulation based on finite element method	39
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	39
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	38
A Unified Python Framework for Solving Schrödinger and Dirac Equations in Exotic Lepton–Antilepton Atoms	38
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	38
Deep operator networks for Bayesian parameter estimation in PDEs	37
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	37
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	36
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	36
Atomistic approach to the strain field in finite-sized heterostructures	36
AAVDP: Atomistic analyzer of virtual diffraction patterns from incident X-rays, neutrons, and electrons	35
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	34
KaiEDJ: A program conducting dynamical mean-field theory and magnetic force theory calculation for correlated magnetic materials	34
Multi-GPU quantum circuit simulation and the impact of network performance	33
LinApart: Optimizing the univariate partial fraction decomposition	33
TIFF: Gyrofluid turbulence in full-f and full-k	33
gSeaGen code by KM3NeT: An efficient tool to propagate muons simulated with CORSIKA	32
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	32
Fluid–structure interaction training of integral conservation physics-informed neural networks for blood flow in elastic vessels	31
Ab initio calculation of the superconducting transition temperature for metallic alloys	31
SBETHE: Stopping powers of materials for swift charged particles from the corrected Bethe formula (new version announcement)	31
Competitive algorithms for calculating the ground state properties of Bose-Fermi mixtures	31
Uniform patterns formation based on Gray-Scott model for 3D printing	31
Hierarchical autoregressive neural networks in three-dimensional statistical system	31
GRASPC – GRASP package adapted for the generation of continuum orbitals wave functions	30
CDPDS: Coupled dipole method-based photonic dispersion solver	30
Generalizable models of magnetic hysteresis via physics-aware recurrent neural networks	30
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	30
Lethe 1.0: An open-source parallel high-order computational fluid dynamics software framework for single and multiphase flows	30
A first-principles method to calculate fourth-order elastic constants of solid materials	30
Multi-expression programming for enhancing MHD heat transfer in a nanofluid-filled enclosure with heat generation and viscous dissipation	29

Tessellation-based grain boundary determination for X-ray orientation microscopies	29
Implicit differentiation with second-order derivatives and benchmarks in finite-element-based differentiable physics	29
FVM realization in Eulerian SPH: A comparative study within unified codebase	29
Analytic model for the propagation of a collisionless neutral beam	29
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	29
ana_cont: Python package for analytic continuation	28
High order compact augmented methods for Stokes equations with different boundary conditions	28
BSMPT v3 a tool for phase transitions and primordial gravitational waves in extended Higgs sectors	27
Data-driven, multi-moment fluid modeling of Landau damping	27
DRalgo: A package for effective field theory approach for thermal phase transitions	27
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	27
Comparing open-source DEM frameworks for simulations of common bulk processes	27
An adaptive octree-based ray tracing method for particle transport in stochastic media	26
Materials Learning Algorithms (MALA): Scalable machine learning for electronic structure calculations in large-scale atomistic simulations	25
Py-EFIT: A new Python package for plasma equilibrium reconstruction on EAST tokamak	25
Models of configurationally-complex alloys made simple	25
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions	25
A unified machine learning approach for reconstructing hadronically decaying tau leptons	25
Quantum-inspired tensor-network fractional-step method for incompressible flow in curvilinear coordinates	25
TBPLaS: A tight-binding package for large-scale simulation	25
PolyHoop: Soft particle and tissue dynamics with topological transitions	25
Symbolic evaluation of transfer matrices for the XXX model	24
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses	24
Corrigendum to “An atomic Dirac–Fock–Roothaan program” [Comput. Phys. Commun. 139 (2001) 218–234]	24
A new version of PyWolf for the propagation of partially coherent light in media other than free space	24
GPU-optimized adaptive mesh refinement for scalable two-phase resolved CFD-DEM simulations on unstructured hexahedral grids	24
Efficient calculation of thermodynamic properties of baryon-rich QCD matter from heavy-ion transport models	24
Construction of machine-learning interatomic potential under heat flux regularization and its application to power spectrum analysis for silver chalcogenides	23
High-performance simulations of higher representations of Wilson fermions	22
pgm: A Python package for free energy calculations within the phonon gas model	22
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys	22
BicAn: An integrated, open-source framework for polyspectral analysis	22
Redistribution of the post-reaction internal energies in DSMC using quantum-kinetic model	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	21
Fast exact algorithm for neutrino oscillation in constant matter density	21
GPU-acceleration of tensor renormalization with PyTorch using CUDA	21
A multi-domain lattice Boltzmann method for mesh refinement with curved boundary interfaces	21
Combustion Toolbox: An open-source thermochemical code for gas- and condensed-phase problems involving chemical equilibrium	21
Constrained control of the radiative transport equation: A novel approach based on the frozen diffusion model	21
ACFlow 2.0 : An open source toolkit for analytic continuation of quantum Monte Carlo data	21
UCNS3D: An open-source high-order finite-volume unstructured CFD solver	20
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)	20
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code	20
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides	20
An immersed boundary lattice Boltzmann method on block-structured adaptive grids for the simulation of particle-laden flows on CPUs/GPUs	20
nuSQuIDS: A toolbox for neutrino propagation	20
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates	20
FlexibleDecay: An automated calculator of scalar decay widths	20
A hybrid method combining ISPH with graph neural network for simulating free-surface flows	20
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	20
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations	20
The polarimeter vector for τ → 3πν decays	20
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems	20
Interatomic potentials for graphene reinforced metal composites: Optimal choice	19
Update of H	19
A three-dimensional multi-phase-field vesicles model and its practical finite difference solver	19
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation	19
OpenSn: A massively parallel, open-source simulation environment for discrete ordinates radiation transport	19
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems	19
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking	19
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids	19
Ants3 toolkit: Front-end for Geant4 with interactive GUI and Python scripting	18
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	18
CRYSTALpytools: A Python infrastructure for the Crystal code	18
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration	18
Animating collider processes with event-time-frame format	18
On the evaluation of the Appell F2 double hypergeometric function	18
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	18
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates	18
Adaptive workflow for simulation of RF heaters	18
CASL-HJX: A comprehensive guide to solving deterministic and stochastic hamilton-Jacobi equations	18
Spinsim: A GPU optimized python package for simulating spin-half and spin-one quantum systems	18
Bit-twiddling hacks for gamma matrices	18
Improvements in charged lepton and photon propagation for the software PROPOSAL	18
Data-driven reduced modeling of streamer discharges in air	18
An efficient saddle search method for ordered phase transitions involving translational invariance	17
Efficient computation of optical excitations in two-dimensional materials with the Xatu code	17
Fast automatically differentiable matrix functions and applications in molecular simulations	17
BSMArt: Simple and fast parameter space scans	17
Handling shape optimization of superconducting cavities with DNMOGA	17

Application of stiffness confinement method within variational nodal method for solving time-dependent neutron transport equation	17
Simulating non-brownian suspensions with non-homogeneous Navier slip boundary conditions	17
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	17
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems	17
LIBAMI: Implementation of algorithmic Matsubara integration	17
An efficient three-dimensional S radiation transport algorithm for inertial confinement fusion	16
Peng: A program for transport properties of low-density binary gas mixtures	16
Jupyter widgets and extensions for education and research in computational physics and chemistry	16
A comprehensive framework to enhance numerical simulations in the spectral-element code Nek5000	16
FiniteFieldSolve: Exactly solving large linear systems in high-energy theory	16
A generalized external circuit model for electrostatic particle-in-cell simulations	16
Multi-species Rosenbluth Fokker-Planck collision operator for discontinuous Galerkin method	16
The LisbOn KInetics Monte Carlo solver	16
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation	16
ReMKiT1D - A framework for building reactive multi-fluid models of the tokamak scrape-off layer with coupled electron kinetics in 1D	16
An efficient three-dimensional mesh quality optimization method based on gradient-enhanced probabilistic model	16
Multiple spatio-temporal attention network: A deep convolutional network for spatio-temporal evolution prediction of flow fields	16
Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics	16
Extending the gyrokinetic code GENE-X to stellarators	16
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework	16
MPS-VMC: A high-performance matrix product state variational Monte Carlo Solver for ab initio quantum chemistry	16
SWtools: A Python package implementing iterative solvers for soliton solutions of nonlinear Schrödinger-type equations	16
A pencil-distributed finite-difference solver for extreme-scale calculations of turbulent wall flows at high Reynolds number	16
MaRTIn – Massive Recursive Tensor Integration	16
DeepFlame 2.0: A new version for fully GPU-native machine learning accelerated reacting flow simulations under low-Mach conditions	16
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	15
QuForge: A library for qudits simulation	15
A brief introduction to PACIAE 4.0	15
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes	15
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure	15
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	15
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	15
A differentiable programming framework for spin models	15
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation	15
A fast and efficient computation method for reflective diffraction simulations	15
ftint: Calculating gradient-flow integrals with pySecDec	15
Editorial Board	15
XLB: A differentiable massively parallel lattice Boltzmann library in Python	15
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows	15
NepTrain and NepTrainKit: Automated active learning and visualization toolkit for neuroevolution potentials	15
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	14
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	14
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media	14
Charge exchange process in Geant4	14
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	14
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium	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
Pyrometheus: Symbolic abstractions for XPU and automatically differentiated computation of combustion kinetics and thermodynamics	14
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering	14
Pineline: Industrialization of high-energy theory predictions	13
pyBoLaNO: A Python symbolic package for normal ordering involving bosonic ladder operators	13
Modeling and verification of dynamic field ionization for laser-target interactions	13
Accurate-geometry-embodied finite element method for phonon Boltzmann transport equation	13
Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine	13
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	13
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	13
A python API and graphical plugin for the penRed Monte Carlo code: Enhancing usability and workflow integration	13
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination	13
FORTRESS: FORTRAN programs to solve coupled Gross-Pitaevskii equations for spin-orbit coupled spin-f Bose-Einstein condensate with spin f = 1 or 2	13
Nyström type exponential integrators for strongly magnetized charged particle dynamics	13
SSLG4: A novel scintillator simulation library for Geant4	13
DynHeMat: A program for zero-point averaged dynamics of pure and doped helium nanodroplets	13
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence	13
An algorithm for automated extraction of resonance parameters from the stabilization method	13
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	13
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	13
GaDE - GPU-acceleration of time-dependent Dirac equation for exascale	13
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	13
Direct determination of layer anomalous Hall conductivity using uniaxial Wannier functions	13
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	13
JAX-WSPM: A GPU-accelerated parallel framework based on the JAX library for modeling water flow and solute transport in unsaturated porous media using an implicit finite element method	13
A computational toolkit for generating WSe2 grain boundaries: Tilted, mirror, and polycrystals	13
Semtex: Development and application of the solver methodology for incompressible flows with generalized Newtonian rheologies	13
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	12
Pointing Probability Driven Semi-Analytic Monte Carlo Method (PDMC) – Part II: Correction of Exponential Approximation for Higher Accuracy	12
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	12
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	12
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework	12
QOptCraft: A Python package for the design and study of linear optical quantum systems	12
An effective implementation of the bidirectional buffer: Towards laminar and turbulent open-boundary flows	12
A Wigner matrix based convolution algorithm for matrix elements in the LCAO method	12
Multiresolution of the one dimensional free-particle propagator. Part 2: Implementation	12
Portal for high-precision atomic data and computation	12
TeNeS: Tensor network solver for quantum lattice systems	12
Pyrough: A tool to build 3D samples with rough surfaces for atomistic and finite-element simulations	12
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	12
QuOCS: The quantum optimal control suite	12
SQUIRREL: An open-source software suite for quantum dynamics calculations on complex geometries with time-dependent electric/magnetic fields	12
rhodent: A python package for analyzing real-time TDDFT response	12
T3FF: Toroidal 3-dimensional full-f full-k code for isothermal gyrofluid drift-Alfvén turbulence	12
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	12
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	12
Numerical simulation of thermal counterflow in superfluid helium: Investigating the effect of rotation and heat flux on the surface of the cylinder	12
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	12