Computer Physics Communications

Article	Citations
GDGen: A gradient descent-based methodology for the generation of optimized spatial configurations of customized clusters in computational simulations	206
Editorial Board	165
Quasi-exact ground-state extrapolation for the random-field Potts model	146
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	111
PARSE: Physical attribute representativity and stationarity evaluator open-source library for 3D images using scalar and vector metrics	109
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	99
A class of linearization-based collocation methods for initial value and boundary value engineering problems	96
PENGEOM – A general-purpose geometry package for Monte Carlo simulation of radiation transport in complex material structures (New Version Announcement)	94
FeynMG: A FeynRules extension for scalar-tensor theories of gravity	91
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	89
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	87
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	86
An implicit time integration approach for simulation of corona discharges	82
IRAND-Sim-02: A flexible GUI-based simulation package for the IRAND (IRan ANtineutrino Detector)	79
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	66
A multiscale stochastic particle method based on the Fokker-Planck model for diatomic gas flows	66
SimOS: A Python framework for simulations of optically addressable spins	62
NGAMMA: A Monte Carlo generator for multiphoton production in e+e− annihilation	62
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	60
HTEM: High-throughput toolkit for elasticity modeling	58
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	57
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	57
Global constraints preserving Lagrange multiplier approach for the incompressible flow-coupled phase-field vesicle membrane models	57
Best of both worlds: Enforcing detailed balance in machine learning models of transition rates	55
VacuumTunneling: A package to solve bounce equation with renormalization factor	55

Design and implementation of a novel approach for long-lived particle reconstruction in LHCb experiment at CERN	54
VirtualFluids – open source parallel LBM solver	54
Physics-aware POD-based learning for Ab initio QEM-Galerkin simulations of periodic nanostructures	54
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	53
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	53
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	51
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	45
FlashSim: A novel particle-in-cell numerical model for vacuum surface flashover simulation based on finite element method	44
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	44
A massive MPI parallel adaptive resolution SPH method for large-scale multiphase flow simulations	42
Deep operator networks for Bayesian parameter estimation in PDEs	42
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	41
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	40
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	40
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	39
Residual-based Chebyshev filtered subspace iteration for Hermitian eigenvalue problems tolerant to inexact matrix-vector products	39
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	38
epiq: An open-source software for the calculation of electron-phonon interaction related properties	38
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	37
Semi-empirical Pseudopotential Method for Monolayer Transition Metal Dichalcogenides	37
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	37
carlomat_4.0, a new version of the general purpose Monte Carlo program	37
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	37
Atomistic approach to the strain field in finite-sized heterostructures	36
TRACK: A python code for calculating the transport properties of correlated electron systems using Kubo formalism	35
An efficient way to determine Liouvillian first integrals of rational second order ordinary differential equations	34
Fast iterative method for local steric Poisson–Boltzmann theories in biomolecular solvation	34
High order compact augmented methods for Stokes equations with different boundary conditions	33
AAVDP: Atomistic analyzer of virtual diffraction patterns from incident X-rays, neutrons, and electrons	33
KaiEDJ: A program conducting dynamical mean-field theory and magnetic force theory calculation for correlated magnetic materials	33
Multi-expression programming for enhancing MHD heat transfer in a nanofluid-filled enclosure with heat generation and viscous dissipation	32
TIFF: Gyrofluid turbulence in full-f and full-k	31
BSMPT v3 a tool for phase transitions and primordial gravitational waves in extended Higgs sectors	31
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches	31
An adaptive learning strategy for surrogate modeling of high-dimensional functions - Application to unsteady hypersonic flows in chemical nonequilibrium	30
ana_cont: Python package for analytic continuation	30
LinApart: Optimizing the univariate partial fraction decomposition	30
Generalizable models of magnetic hysteresis via physics-aware recurrent neural networks	30
Tessellation-based grain boundary determination for X-ray orientation microscopies	30
gSeaGen code by KM3NeT: An efficient tool to propagate muons simulated with CORSIKA	29
Quasi-Helmholtz decomposition, Gauss' laws and charge conservation for finite element particle-in-cell	29
Analytic model for the propagation of a collisionless neutral beam	28
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	28
Comparing open-source DEM frameworks for simulations of common bulk processes	28
Competitive algorithms for calculating the ground state properties of Bose-Fermi mixtures	28
Ab initio calculation of the superconducting transition temperature for metallic alloys	28
TBPLaS: A tight-binding package for large-scale simulation	27
Implicit differentiation with second-order derivatives and benchmarks in finite-element-based differentiable physics	27
Data-driven, multi-moment fluid modeling of Landau damping	27
CDPDS: Coupled dipole method-based photonic dispersion solver	27

Models of configurationally-complex alloys made simple	27
Hierarchical autoregressive neural networks in three-dimensional statistical system	26
Uniform patterns formation based on Gray-Scott model for 3D printing	26
GRASPC – GRASP package adapted for the generation of continuum orbitals wave functions	26
FVM realization in Eulerian SPH: A comparative study within unified codebase	26
SBETHE: Stopping powers of materials for swift charged particles from the corrected Bethe formula (new version announcement)	26
Lethe 1.0: An open-source parallel high-order computational fluid dynamics software framework for single and multiphase flows	26
A first-principles method to calculate fourth-order elastic constants of solid materials	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
TorchDA: A Python package for performing data assimilation with deep learning forward and transformation functions	25
A new version of PyWolf for the propagation of partially coherent light in media other than free space	25
DRalgo: A package for effective field theory approach for thermal phase transitions	25
ERMES 20.0: Open-source finite element tool for computational electromagnetics in the frequency domain	25
A binary filter inspired from the PIC sparse grid technique – Illustration on the XTOR-K code	24
VISROC 2.0: Updated Software for the Visualization of the significance of Receiver Operating Characteristics based on confidence ellipses	24
A unified machine learning approach for reconstructing hadronically decaying tau leptons	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
libEMM: A fictious wave domain 3D CSEM modelling library bridging sequential and parallel GPU implementation	23
nuSQuIDS: A toolbox for neutrino propagation	23
PolyHoop: Soft particle and tissue dynamics with topological transitions	23
GPU-optimized adaptive mesh refinement for scalable two-phase resolved CFD-DEM simulations on unstructured hexahedral grids	23
An immersed boundary lattice Boltzmann method on block-structured adaptive grids for the simulation of particle-laden flows on CPUs/GPUs	22
BicAn: An integrated, open-source framework for polyspectral analysis	22
High-performance simulations of higher representations of Wilson fermions	21
pgm: A Python package for free energy calculations within the phonon gas model	21
A multi-domain lattice Boltzmann method for mesh refinement with curved boundary interfaces	21
ScaleLat: A chemical structure matching algorithm for mapping atomic structure of multi-phase system and high entropy alloys	21
Fast exact algorithm for neutrino oscillation in constant matter density	21
Combustion Toolbox: An open-source thermochemical code for gas- and condensed-phase problems involving chemical equilibrium	21
Redistribution of the post-reaction internal energies in DSMC using quantum-kinetic model	21
ACFlow 2.0 : An open source toolkit for analytic continuation of quantum Monte Carlo data	21
OpenSn: A massively parallel, open-source simulation environment for discrete ordinates radiation transport	20
JuTrack: A Julia package for auto-differentiable accelerator modeling and particle tracking	20
A three-dimensional multi-phase-field vesicles model and its practical finite difference solver	20
KANTBP 3.1: A program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel and adiabatic approaches	20
Constrained control of the radiative transport equation: A novel approach based on the frozen diffusion model	20
Update of H	20
Parallel finite-element codes for the Bogoliubov-de Gennes stability analysis of Bose-Einstein condensates	19
FeynGKZ: A Mathematica package for solving Feynman integrals using GKZ hypergeometric systems	19
FlexibleDecay: An automated calculator of scalar decay widths	19
RydIQule: A graph-based paradigm for modeling Rydberg and atomic sensors	19
Machine-learning enhanced predictors for accelerated convergence of partitioned fluid-structure interaction simulations	19
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)	19
All-around local structure classification with supervised learning: The example of crystal phases and dislocations in complex oxides	19
Interatomic potentials for graphene reinforced metal composites: Optimal choice	19
The polarimeter vector for τ → 3πν decays	19
On the evaluation of the Appell F2 double hypergeometric function	19
WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids	19
GPU-acceleration of tensor renormalization with PyTorch using CUDA	19
GALÆXI: Solving complex compressible flows with high-order discontinuous Galerkin methods on accelerator-based systems	18
CASL-HJX: A comprehensive guide to solving deterministic and stochastic hamilton-Jacobi equations	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
A differentiable programming framework for spin models	18
A hybrid method combining ISPH with graph neural network for simulating free-surface flows	18
Bit-twiddling hacks for gamma matrices	18
Animating collider processes with event-time-frame format	18
Spinsim: A GPU optimized python package for simulating spin-half and spin-one quantum systems	18
UCNS3D: An open-source high-order finite-volume unstructured CFD solver	18
Ants3 toolkit: Front-end for Geant4 with interactive GUI and Python scripting	18
Peng: A program for transport properties of low-density binary gas mixtures	18
A generalized external circuit model for electrostatic particle-in-cell simulations	17
Multiple spatio-temporal attention network: A deep convolutional network for spatio-temporal evolution prediction of flow fields	17
TorchAmi: Generalized CPU/GPU implementation of algorithmic matsubara integration	17
Data-driven reduced modeling of streamer discharges in air	17
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials	17
Adaptive workflow for simulation of RF heaters	17
uniGasFoam: A particle-based OpenFOAM solver for multiscale rarefied gas flows	17
A pencil-distributed finite-difference solver for extreme-scale calculations of turbulent wall flows at high Reynolds number	17
An efficient three-dimensional mesh quality optimization method based on gradient-enhanced probabilistic model	17
CRYSTALpytools: A Python infrastructure for the Crystal code	17
NepTrain and NepTrainKit: Automated active learning and visualization toolkit for neuroevolution potentials	16
A Monte Carlo algorithm to measure probabilities of rare events in cluster-cluster aggregation	16
DeepFlame 2.0: A new version for fully GPU-native machine learning accelerated reacting flow simulations under low-Mach conditions	16
An efficient saddle search method for ordered phase transitions involving translational invariance	16
RaDiO: An efficient spatiotemporal radiation diagnostic for particle-in-cell codes	16
Fast automatically differentiable matrix functions and applications in molecular simulations	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

Handling shape optimization of superconducting cavities with DNMOGA	16
Application of stiffness confinement method within variational nodal method for solving time-dependent neutron transport equation	16
Continuum solutions to the two–center Coulomb problem in prolate spheroidal coordinates	16
Implementation and optimisation of the cdugksFoam solver on the Sunway TaihuLight supercomputer	16
Efficient computation of optical excitations in two-dimensional materials with the Xatu code	16
Models of advanced recording systems: A multi-timescale micromagnetic code for granular thin film magnetic recording systems	16
MaRTIn – Massive Recursive Tensor Integration	16
MPS-VMC: A high-performance matrix product state variational Monte Carlo Solver for ab initio quantum chemistry	15
SWtools: A Python package implementing iterative solvers for soliton solutions of nonlinear Schrödinger-type equations	15
An efficient three-dimensional S radiation transport algorithm for inertial confinement fusion	15
The LisbOn KInetics Monte Carlo solver	15
Jupyter widgets and extensions for education and research in computational physics and chemistry	15
ReMKiT1D - A framework for building reactive multi-fluid models of the tokamak scrape-off layer with coupled electron kinetics in 1D	15
Improvements in charged lepton and photon propagation for the software PROPOSAL	15
LES/DNS fluid-structure interaction simulation of non-linear slender structures in Nektar++ framework	15
Multi-species Rosenbluth Fokker-Planck collision operator for discontinuous Galerkin method	15
A brief introduction to PACIAE 4.0	15
Development of a parallel CUDA algorithm for solving 3D guiding center problems	14
Nanophotonic resonance modes with the nanobem toolbox	14
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions	14
LIBAMI: Implementation of algorithmic Matsubara integration	14
Editorial Board	14
A fast and efficient computation method for reflective diffraction simulations	14
DarkNews: A Python-based event generator for heavy neutral lepton production in neutrino-nucleus scattering	14
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media	14
MP-CITDSE: A set of ab-initio programs for the simulation of hydrogenic and helium-like atom-laser interactions	14
Comparison of Bayesian and particle swarm algorithms for hyperparameter optimisation in machine learning applications in high energy physics	14
Simulating non-brownian suspensions with non-homogeneous Navier slip boundary conditions	14
A simplified conservation flux scheme for gas kinetics based on OpenFOAM framework I: Shakhov model	14
XLB: A differentiable massively parallel lattice Boltzmann library in Python	14
Efficient multi-GPU implementation of a moving boundary approach in rotor flow simulation using LBM and level-set method	14
A boundary integral based particle initialization algorithm for Smooth Particle Hydrodynamics	14
Pyrometheus: Symbolic abstractions for XPU and automatically differentiated computation of combustion kinetics and thermodynamics	14
Quasi-optimal domain decomposition method for neural network-based computation of the time-dependent Schrödinger equation	14
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium	14
Electrical impulse characterization along actin filaments in pathological conditions	14
BSMArt: Simple and fast parameter space scans	14
Charge exchange process in Geant4	14
QuForge: A library for qudits simulation	14
PM2D: A parallel GPU-based code for the kinetic simulation of laser plasma instabilities at large scales	14
Pineline: Industrialization of high-energy theory predictions	14
DynHeMat: A program for zero-point averaged dynamics of pure and doped helium nanodroplets	14
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics	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 python API and graphical plugin for the penRed Monte Carlo code: Enhancing usability and workflow integration	13
CaLES: A GPU-accelerated solver for large-eddy simulation of wall-bounded flows	13
Compatible and energy conserving multi-material arbitrary Lagrangian Eulerian scheme for multi-group radiation hydrodynamics simulations	13
Optimizing shift selection in multilevel Monte Carlo for disconnected diagrams in lattice QCD	13
INGRID: An interactive grid generator for 2D edge plasma modeling	13
Data-analysis software framework 2DMAT and its application to experimental measurements for two-dimensional material structures	13
CellListMap.jl: Efficient and customizable cell list implementation for calculation of pairwise particle properties within a cutoff	13
SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations	13
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence	13
Reducing the computational load – atomic multiconfiguration calculations based on configuration state function generators	13
Self-consistent field theory for loop-containing polymers: A general algorithm for path-determination	13
A novel S /MOC collaborative method for few-group cross-section generation with versatile neutron spectral adaptability in advanced reactor physics analysis	13
ftint: Calculating gradient-flow integrals with pySecDec	13
On the application of Jacobian-free Riemann solvers for relativistic radiation magnetohydrodynamics under M1 closure	13
Semtex: Development and application of the solver methodology for incompressible flows with generalized Newtonian rheologies	13
An algorithm for automated extraction of resonance parameters from the stabilization method	13
Distributed computing for physics-based data-driven reduced modeling at scale: Application to a rotating detonation rocket engine	13
An adaptive dual-mesh method for fast and accurate 3D modeling of flow and transport in unsaturated porous environment at watershed scale	13
Optimized parallelization of boundary integral Poisson-Boltzmann solvers	13
pyBoLaNO: A Python symbolic package for normal ordering involving bosonic ladder operators	13
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
An open-source coupled method for aeroacoustics modelling	12
Nyström type exponential integrators for strongly magnetized charged particle dynamics	12
Adaptive unified gas-kinetic scheme for diatomic gases with rotational and vibrational nonequilibrium	12
Higher-order elastic constitutive relation: Micro mechanism and application to acoustoelasticity	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
Parallel diffusion operator for magnetized plasmas with improved spectral fidelity	12
Pointing Probability Driven Semi-Analytic Monte Carlo Method (PDMC) – Part II: Correction of Exponential Approximation for Higher Accuracy	12
GaDE - GPU-acceleration of time-dependent Dirac equation for exascale	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
TeNeS: Tensor network solver for quantum lattice systems	12
ECCPA: Calculation of classical and quantum cross sections for elastic collisions of charged particles with atoms	12
Numerical simulation of thermal counterflow in superfluid helium: Investigating the effect of rotation and heat flux on the surface of the cylinder	12
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations	12
TRIQS/SOM 2.0: Implementation of the stochastic optimization with consistent constraints for analytic continuation	12
Modeling and verification of dynamic field ionization for laser-target interactions	12
Direct/split invariant-preserving Fourier pseudo-spectral methods for the rotation-two-component Camassa–Holm system with peakon solitons	12
HODG:high-order discontinuous Galerkin methods for solving compressible Euler and Navier-Stokes equations - an open-source component-based development framework	12
A Wigner matrix based convolution algorithm for matrix elements in the LCAO method	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
A spheropolyhedral-based discrete element lattice Boltzmann method for simulation of non-spherical adhesive particulate flow	12
Packing3D.jl: An open-source analytical framework for computing packing density and mixing indices using partial spherical volumes	11
A method of calculating bandstructure in real-space with application to all-electron and full potential	11
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM	11
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows	11
lifex-cfd: An open-source computational fluid dynamics solver for cardiovascular applications	11
Chrono DEM-Engine: A Discrete Element Method dual-GPU simulator with customizable contact forces and element shape	11
Structure-preserving parametric finite element methods for anisotropic surface diffusion flow with minimal deformation formulation	11
A GPU-based compact conservative characteristic finite volume parallel algorithm for advection diffusion equations	11
pARTn: A plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimisation algorithm	11