Computer Physics Communications

Article	Citations
Efficient determination of free energies of non-ideal solid solutions via hybrid Monte Carlo simulations	6131
Prometheus: An open-source neutrino telescope simulation	4084
An enhancement of the fast time-domain boundary element method for the three-dimensional wave equation	266
AICON2: A program for calculating transport properties quickly and accurately	236
A portable and flexible implementation of the Wang–Landau algorithm in order to determine the density of states	191
An OpenFOAM solver incorporating detailed transport model for reacting flow simulations	177
Parallel and bias-free RSA algorithm for maximal Poisson-sphere sampling	156
An implicit time integration approach for simulation of corona discharges	126
Efficient linear scaling mapping for permutation symmetric Fock spaces	99
De-noising drift chambers in CLAS12 using convolutional auto encoders	93
A hybrid deep learning model for optimizing particle identification systems	93
Development of an unstructured mesh gyrokinetic particle-in-cell code for exascale fusion plasma simulations on GPUs	89
Editorial Board	84
PH-NODE: A DFPT and finite displacement supercell based python code for searching nodes in topological phononic materials	78
A particle-resolved direct numerical simulation method for the compressible gas flow and arbitrary shape solid moving with a uniform framework	77
FeAmGen.jl: A Julia program for Feynman Amplitude Generation	70
RHDLPP: A multigroup radiation hydrodynamics code for laser-produced plasmas	68
The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions	64
A quasi-transport integral variational nodal method for homogeneous nodes based on the 2D/1D method	64
Accelerating Markov Chain Monte Carlo sampling with diffusion models	63
Coupling the time-warp algorithm with the graph-theoretical kinetic Monte Carlo framework for distributed simulations of heterogeneous catalysts	57
Interface tool from Wannier90 to RESPACK: wan2respack	57
ComDMFT v.2.0: Fully self-consistent ab initio GW+EDMFT for the electronic structure of correlated quantum materials	56
DarkPACK: A modular software to compute BSM squared amplitudes for particle physics and dark matter observables	53
MADWAVE3: A quantum time dependent wave packet code for nonadiabatic state-to-state reaction dynamics of triatomic systems	53

FeynMG: A FeynRules extension for scalar-tensor theories of gravity	52
Complete Lagrangian and set of Feynman rules for scalar leptoquarks	51
Benchmarking collective effects of electron interactions in a wiggler with OPAL-FEL	51
A flux correction approach for the pressure equation in incompressible flows on overset meshes in OpenFOAM	50
OpenMP Fortran programs for solving the time-dependent dipolar Gross-Pitaevskii equation	49
Pole-fitting for complex functions: Enhancing standard techniques by artificial-neural-network classifiers and regressors	49
Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels	49
TransROTA: A code for solving collisionality-extended Braginskii's closure formalism for toroidally-rotating plasmas with nonlinear successive overrelaxation	48
Alouette: Yet another encapsulated TAUOLA, but revertible	47
Diatomic-py: A Python module for calculating the rotational and hyperfine structure of 1Σ molecules	46
A C++ code for simulations of RHEED intensity oscillations within the kinematical approximation	43
Editorial Board	42
Cluster classification by chemi-topology	40
ERNIE: A reactor antineutrino inverse beta decay event generator	40
A hybrid model to calculate the spin wave excitations in ferromagnetic/non-magnetic multilayers	39
Updates to the one-loop provider NLOX	38
AAfrag 2.01: interpolation routines for Monte Carlo results on secondary production including light antinuclei in hadronic interactions	38
RGE++: A C++ library to solve renormalisation group equations in quantum field theory	37
JRAF: A Julia package for computation of relativistic molecular auxiliary functions	37
Editorial Board	37
ERYA-Bulk and ERYA-Profiling: An application for quantitative PIGE analysis	36
BREMS: Partial-wave calculation of spectra and angular distributions of electron-atom bremsstrahlung at electron energies less than 30 MeV (New Version Announcement)	36
NuSD: A Geant4 based simulation framework for segmented anti-neutrino detectors	36
Cost-efficient simulations of large-scale electronic structures in the standalone manycore architecture	36
Arbitrary controlled re-orientation of a spinning body by evolving its tensor of inertia	35
Density matrix embedding theory of excited states for spin systems	35
A method of calculating bandstructure in real-space with application to all-electron and full potential	34
minimal-lagrangians: Generating and studying dark matter model Lagrangians with just the particle content	34
Local volume-conservation-improved diffuse interface model for simulation of Rayleigh–Plateau fluid instability	34
High-degree polynomial noise subtraction for disconnected loops	34
Parallel-in-time multiple shooting for optimal control problems governed by the Navier–Stokes equations	34
New orthogonality relationships of the Gaunt coefficients	34
Editorial Board	33
Crystal structure search with principal invariants	33
Editorial Board	33
Path integrals formulations leading to propagator evaluation for coupled linear physics in large geometric models	32
Improving the detection efficiency of IRAND based on machine learning	32
GSvit — An open source FDTD solver for realistic nanoscale optics simulations	31
Editorial Board	31
Efficient parallelization for 3D-3V sparse grid Particle-In-Cell: Single GPU architectures	31
An adaptive moving mesh finite difference scheme for tokamak magneto-hydrodynamic simulations	31
Study of numerical error of a Eulerian–Lagrangian scheme in the presence of particle source	30
PenRed: An extensible and parallel Monte-Carlo framework for radiation transport based on PENELOPE	30
Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package	30
A novel class of explicit divergence-free time-domain methods for efficiently solving Maxwell's equations	30
Comment on ‘Symbolic integration of a product of two spherical Bessel functions with an additional exponential and polynomial factor’ by B. Gebremariam, T. Duguet and S.K. Bogner	29
A contour integral-based method for nonlinear eigenvalue problems for semi-infinite photonic crystals	29
Debugging the FUMILIM minimization package	29
CoOMBE: A suite of open-source programs for the integration of the optical Bloch equations and Maxwell-Bloch equations	29
Jiezi: An open-source Python software for simulating quantum transport based on non-equilibrium Green's function formalism	28

A hybrid Eulerian-Lagrangian Vlasov method for nonlinear wave-particle interaction in weakly inhomogeneous magnetic field	28
L-MAU: A multivariate time-series network for predicting the Cahn-Hilliard microstructure evolutions via low-dimensional approaches	28
RESPACK: An ab initio tool for derivation of effective low-energy model of material	27
Flavour Symmetry Embedded - GLoBES (FaSE-GLoBES)	27
Elastic3rd: A tool for calculating third-order elastic constants from first-principles calculations	27
X-ray spectrometer simulation code with a detailed support of mosaic crystals	27
ParamGULP: An efficient Python code for obtaining interatomic potential parameters for General Utility Lattice Program	26
Calculation of optical properties with spin-orbit coupling for warm dense matter	26
BEEC2.0: An upgraded version for the production of heavy quarkonium at electron-positron collider	25
Analysis methods and code for very high-precision mass measurements of unstable isotopes	25
Multicolor reordering for computing moments in particle-in-cell plasma simulations	25
LeptonInjector and LeptonWeighter: A neutrino event generator and weighter for neutrino observatories	25
Numerical integration of particle orbits in discontinuous fields using VENUS-LEVIS and SPEC	25
An algorithm for estimating kinetic parameters of atomistic rare events using finite-time temperature programmed molecular dynamics trajectories	25
Machine learning enhanced empirical potentials for metals and alloys	25
Jas4pp — A data-analysis framework for physics and detector studies	25
HTR-1.3 solver: Predicting electrified combustion using the hypersonic task-based research solver	25
libdlr: Efficient imaginary time calculations using the discrete Lehmann representation	25
SMATool: Strength of materials analysis toolkit	24
BetheSF V2: 3-point propagator and additional external potentials	24
r-adaptive algorithms for high-speed flows and plasma simulations	24
Development of high-fidelity neutron transport code STREAM	24
MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach	23
Simple yet effective adaptive activation functions for physics-informed neural networks	23
Analytical derivatives of neural networks	23
PairDiagSph: Generalization of the exact pairing diagonalization program for spherical systems	23
TNQMetro: Tensor-network based package for efficient quantum metrology computations	23
N ways to simulate short-range particle systems: Automated algorithm selection with the node-level library AutoPas	23
3D Time-domain electromagnetic full waveform inversion in Debye dispersive medium accelerated by multi-GPU paralleling	23
Calculation of atomic integrals between relativistic functions by means of algebraic methods	22
2D Fourier finite element formulation for magnetostatics in curvilinear coordinates with a symmetry direction	22
A cross-platform, high-performance SPH toolkit for image-based flow simulations on the pore scale of porous media	22
Python Group Additivity (pGrAdd) software for estimating species thermochemical properties	22
SPARTACUS: An open-source unified stochastic particle solver for the simulation of multiscale nonequilibrium gas flows	22
GammaCHI: A package for the inversion and computation of the gamma and chi-square cumulative distribution functions (central and noncentral). New version announcement	22
Linear and nonlinear benchmarks between the CLT code and the M3D-C1 code for the 2/1 resistive tearing mode and the 1/1 resistive kink mode	22
SIDIS-RC EvGen: A Monte-Carlo event generator of semi-inclusive deep inelastic scattering with the lowest-order QED radiative corrections	21
HepLib: A C++ library for high energy physics (version 1.1)	21
An efficient high-order numerical solver for diffusion equations with strong anisotropy	21
Boson Subsidiary Solver (BoSS) v1.1	20
Expansion by regions with pySecDec	20
MQCT 2024: A program for calculations of inelastic scattering of two molecules (new version announcement)	20
Analysis of a density matrix renormalization group approach for transport in open quantum systems	20
TPMD toolkit: A toolkit for studying rate processes using molecular dynamics trajectories and performing temperature programmed molecular dynamics calculations	20
triSurfaceImmersion: Computing volume fractions and signed distances from triangulated surfaces immersed in unstructured meshes	20
Evaluation of Feynman integrals with arbitrary complex masses via series expansions	20
DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization	20
A SPIRED code for the reconstruction of spin distribution	19
CoupledElectricMagneticDipoles.jl - Julia modules for coupled electric and magnetic dipoles method for light scattering, and optical forces in three dimensions	19
Biot-Savart routines with minimal floating point error	19
GPU implementation of the discrete unified gas kinetic scheme for low-speed isothermal flows	19
Code for molecular dynamics simulation of two dimensional Mercedes-Benz water model	18
Multidisciplinary benchmarks of a conservative spectral solver for the nonlinear Boltzmann equation	18
Vorotis: Software for Voronoi tessellation analysis using the polyhedron code	18
The Z1+ package: Shortest multiple disconnected path for the analysis of entanglements in macromolecular systems	18
Parallel adaptive weakly-compressible SPH for complex moving geometries	18
A finite element method for the band structure computation of photonic crystals with complex scatterer geometry	18
Editorial Board	18
A new software implementation of the Oslo method with rigorous statistical uncertainty propagation	17
Automated descriptor selection, volcano curve generation, and active site determination using the DescMAP software	17
Dynamic domain decomposition method based on weighted Voronoi diagrams	17
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	17
libepa — A C++/Python library for calculations of cross sections of ultraperipheral collisions	17
DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems	17
A multi-GPU implementation of Real-Time Time-Dependent Auxiliary Density Functional Theory for the investigation of nanosystems irradiations	17
SuSpect3: A C++ code for the supersymmetric and Higgs particle spectrum of the MSSM	17
Simulation and data processing techniques to design optimized PPR systems on plasma fusion devices	17
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods	17
A performance portable implementation of the semi-Lagrangian algorithm in six dimensions	17
A dynamical particle merging and splitting algorithm for Particle-In-Cell simulations	17
A transient solution for electric field driven orientation and deformation of the angled droplet	17
Decoupling numerical method based on deep neural network for nonlinear degenerate interface problems	17
A highly-efficient locally encoded boundary scheme for lattice Boltzmann method on GPU	17
Development and validation in water of FLUNED, an open-source tool for fluid activation calculations	16
Comparison of two different integration methods for the (1+1)-dimensional Schrödinger-Poisson equation	16
A simple variational quantum Monte Carlo-effective mass approach for excitons and trions in quantum dots	16
twoPhaseInterTrackFoam: An OpenFOAM module for arbitrary Lagrangian/Eulerian interface tracking with surfactants and subgrid-scale modeling	16
Training normalizing flows with computationally intensive target probability distributions	16
Melting phenomena of self-organized magnetic structures investigated by variational autoencoder	16
An efficient heterogeneous parallel algorithm of the 3D MOC for multizone heterogeneous systems	16

NSC++: Non-standard cosmologies in C++	16
Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems	16
Conservative discontinuous Galerkin interpolation: Sheared boundary conditions	16
RCWA4D: Electromagnetic solver for layered structures with incommensurate periodicities	16
CGNSDE: Conditional Gaussian neural stochastic differential equation for modeling complex systems and data assimilation	16
Seq-SVF: An unsupervised data-driven method for automatically identifying hidden governing equations	16
FlexibleSUSY extended to automatically compute physical quantities in any beyond the standard model theory: Charged lepton flavor violation processes, Higgs decays, and user-defined observables	15
A numerical algorithm for solving the coupled Schrödinger equations using inverse power method	15
JefiGPU: Jefimenko's equations on GPU	15
A simple one-step index algorithm for implementation of lattice Boltzmann method on GPU	15
Quasi-exact ground-state extrapolation for the random-field Potts model	15
Parallel model of chemical reactions on a grained molecular level	15
Domain-specific implementation of high-order Discontinuous Galerkin methods in spherical geometry	15
A new way to use nonlocal symmetries to determine first integrals of second-order nonlinear ordinary differential equations	15
Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement	15
Comparison of multiobjective optimization methods for the LCLS-II photoinjector	15
ModelFLOWs-app: Data-driven post-processing and reduced order modelling tools	15
Quadrature of functions with endpoint singular and generalised polynomial behaviour in computational physics	15
Tiresia: A code for molecular electronic continuum states and photoionization	15
Representation and modeling of charged particle distributions in tokamaks	15
PULSEE: A software for the quantum simulation of an extensive set of magnetic resonance observables	15
FluTAS: A GPU-accelerated finite difference code for multiphase flows	15
TORCWA: GPU-accelerated Fourier modal method and gradient-based optimization for metasurface design	14
Multipolynomial Monte Carlo for trace estimation in lattice QCD	14
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals	14
HEAPS: A user-friendly tool for the design and exploration of high-entropy alloys based on semi-empirical parameters	14
pyerrors: A python framework for error analysis of Monte Carlo data	14
A second-order particle Fokker-Planck model for rarefied gas flows	14
All electron GW with linearized augmented plane waves for metals and semiconductors	14
HiPACE++: A portable, 3D quasi-static particle-in-cell code	14
PyPhotonics: A python package for the evaluation of luminescence properties of defects	14
Construction of maximally-localized Wannier functions using crystal symmetry	14
Corrigendum to “Fast Exact Algorithm for Neutrino Oscillation in Constant Matter Density” [Computer Physics Communications volume 300 (2024) 109200]	14
PyBEST: Improved functionality and enhanced performance	14
KLIFF: A framework to develop physics-based and machine learning interatomic potentials	14
Ph3pyWF: An automated workflow software package for ceramic lattice thermal conductivity calculation	13
A variant of stabilized-scalar auxiliary variable (S-SAV) approach for a modified phase-field surfactant model	13
Nonrad: Computing nonradiative capture coefficients from first principles	13
FeynCalc 10: Do multiloop integrals dream of computer codes?	13
Pointing probability Driven semi-analytic Monte Carlo Method (PDMC) – Part I: Global variance reduction for large-scale radiation transport analysis	13
BORAY: A ray tracing code for various magnetized plasma configurations	13
BIMBAMBUM: A potential flow solver for single cavitation bubble dynamics	13
A fully-coupled framework for solving Cahn-Hilliard Navier-Stokes equations: Second-order, energy-stable numerical methods on adaptive octree based meshes	13
A new high-order shock-capturing TENO scheme combined with skew-symmetric-splitting method for compressible gas dynamics and turbulence simulation	13
An implicit spin lattice dynamics integrator in LAMMPS	13
Deneb: An open-source high-performance multi-physical flow solver based on high-order DRM-DG method	13
Fission fragment decay simulations with the CGMF code	13
epiq: An open-source software for the calculation of electron-phonon interaction related properties	12
A framework for synthetic diagnostics using energetic-particle orbits in tokamaks	12
GeoTaichi: A Taichi-powered high-performance numerical simulator for multiscale geophysical problems	12
The TMDICE Monte Carlo shower program and algorithm for jet-fragmentation via coherent medium induced radiations and scattering	12
QERaman: An open-source program for calculating resonance Raman spectra based on Quantum ESPRESSO	12
OptiSMOKE++: A toolbox for optimization of chemical kinetic mechanisms	12
OpenSBLI: Automated code-generation for heterogeneous computing architectures applied to compressible fluid dynamics on structured grids	12
mdapy: A flexible and efficient analysis software for molecular dynamics simulations	12
SIMULATeQCD: A simple multi-GPU lattice code for QCD calculations	12
Development and performance of a HemeLB GPU code for human-scale blood flow simulation	12
The multi-dimensional Hermite-discontinuous Galerkin method for the Vlasov–Maxwell equations	12
SeismicNet: Physics-informed neural networks for seismic wave modeling in semi-infinite domain	11
A method for optimizing different geometric shields of D-T neutron generators by combining BP neural network and Analytic Hierarchy Process	11
MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials	11
The software design of Gridap: A Finite Element package based on the Julia JIT compiler	11
A highly efficient variant of scalar auxiliary variable (SAV) approach for the phase-field fluid-surfactant model	11
FSEI-GPU: GPU accelerated simulations of the fluid–structure–electrophysiology interaction in the left heart	11
Analytic pulse technique for computational electromagnetics	11
MultivariateApart: Generalized partial fractions	11
A class of linearization-based collocation methods for initial value and boundary value engineering problems	11
GPU-accelerated simulations of quantum annealing and the quantum approximate optimization algorithm	11
JAX-FEM: A differentiable GPU-accelerated 3D finite element solver for automatic inverse design and mechanistic data science	11
Large-scale flow simulations using lattice Boltzmann method with AMR following free-surface on multiple GPUs	11
A GPU-accelerated fast multipole method based on barycentric Lagrange interpolation and dual tree traversal	11
HiggsTools: BSM scalar phenomenology with new versions of HiggsBounds and HiggsSignals	11
A GPU accelerated three-dimensional ghost cell method with an improved implicit surface representation for complex rigid or flexible boundary flows	10
MLAnalysis: An open-source program for high energy physics analyses	10
Coupling of an SPH-based solver with a multiphysics library	10
PSGen, a generator of phase space parameterizations for the multichannel Monte Carlo integration	10
Double phase transition numerical modeling of superfluid helium for fixed non-uniform grids	10
Discovering interpretable Lagrangian of dynamical systems from data	10
pfd-parallel, a Singular/GPI-Space package for massively parallel multivariate partial fractioning	10
“pyGDM” - new functionalities and major improvements to the python toolkit for nano-optics full-field simulations	10
NNPred: Deploying neural networks in computational fluid dynamics codes to facilitate data-driven modeling studies	10
Learning coarse-grained force fields for fibrogenesis modeling	10
EZ: An efficient, charge conserving current deposition algorithm for electromagnetic particle-in-cell simulations	10
PyCharge: An open-source Python package for self-consistent electrodynamics simulations of Lorentz oscillators and moving point charges	10
A semi-implicit slip algorithm for mesh deformation in complex geometries, implemented in OpenFOAM	10
An extension to Voro++ for multithreaded computation of Voronoi cells	10
Editorial Board	10
libFastMesh: An optimized finite-volume framework for computational aeroacoustics	10
Atomistic approach to the strain field in finite-sized heterostructures	10
Data-driven sensitivity analysis in surface structure determination using total-reflection high-energy positron diffraction (TRHEPD)	10
New features of the TFmix code: Thermodynamic properties of electrons in mixtures	10
A program for simplifying summation of Wigner 3j-symbols	9
LibRPA: A software package for low-scaling first-principles calculations of random phase approximation electron correlation energy based on numerical atomic orbitals	9
Code for the cluster dichotomy model	9
Reconfigured continuous normalized gradient flow for computing ground states of Bose-Einstein condensates	9