yusuke1997/dblp-id-title huggingface dataset:
An efficient parallel implementation of the smooth particle mesh Ewald method for molecular dynamics simulations
An improved CE/SE scheme and its application to dilute gas-particle flows
Performance modeling and running strategy of parallel cdugksFOAM program
Logarithmic link smearing for full QCD
A standard format for Les Houches Event Files
C2x: A tool for visualisation and input preparation for Castep and other electronic structure codes
Study of simplified conservation flux scheme for gas kinetics based on OpenFOAM framework II: Rykov model
Time-domain global similarity method for automatic data cleaning for multi-channel measurement systems in magnetic confinement fusion devices
mdFoam+: Advanced molecular dynamics in OpenFOAM
A TensorFlow simulation framework for scientific computing of fluid flows on tensor processing units
ftint: Calculating gradient-flow integrals with pySecDec
Computing an orthonormal basis of symmetric or antisymmetric hyperspherical harmonics
JAX-Fluids 2.0: Towards HPC for differentiable CFD of compressible two-phase flows
Regularization with numerical extrapolation for finite and UV-divergent multi-loop integrals
Adaptive third order Adams-Bashforth time integration for extended Boussinesq equations
Numerical scheme for the far-out-of-equilibrium time-dependent Boltzmann collision operator: 1D second-degree momentum discretisation and adaptive time stepping
Software for computing eigenvalue bounds for iterative subspace matrix methods
Tuning the hybrid Monte Carlo algorithm using molecular dynamics forces' variances
pyDSM: GPU-accelerated rheology predictions for entangled polymers in Python
Electric currents in ring-shaped molecules induced by circularly polarized laser pulses
A framework for comparing vascular hemodynamics at different points in time
A numerical method to compute derivatives of functions of large complex matrices and its application to the overlap Dirac operator at finite chemical potential
Implementation of the Vanka-type multigrid solver for the finite element approximation of the Navier-Stokes equations on GPU
A practical guide to writing a radiative transfer code
Scientific Computing with MATLAB: A. Quarteroni, F. Saleri, Springer-Verlag, Berlin, 2003, ISBN 3-540-44363-0
The LisbOn KInetics Monte Carlo solver
Investigating algebraic topological method for solving 3D Laplace equation in electrostatic boundary value problems
Pressure-induced structural change from low-density to high-density amorphous ice by molecular-dynamics simulations
Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver
Parallel finite element technique using Gaussian belief propagation
Toward scalable many-body calculations for nuclear open quantum systems using the Gamow Shell Model
High-accuracy three-dimensional surface detection in smoothed particle hydrodynamics for free-surface flows
TFmix: A high-precision implementation of the finite-temperature Thomas-Fermi model for a mixture of atoms
KANTBP 2.0: New version of a program for computing energy levels, reaction matrix and radial wave functions in the coupled-channel hyperspherical adiabatic approach
Smoothed multi-variate histogrammed PDEs, and chi 2 optimisation
Kranc: a Mathematica package to generate numerical codes for tensorial evolution equations
Python in scientific computing: Applications to Bose-Einstein condensates
Chaos Many-Body Engine module for estimating pentaquark production in proton-proton collisions at CBM energies
A time saving algorithm for the Monte Carlo method of Metropolis
FESTR: Finite-Element Spectral Transfer of Radiation spectroscopic modeling and analysis code
Higgs mass predictions of public NMSSM spectrum generators
On the correction of conserved variables for numerical RMHD with staggered constrained transport
Spin stiffness of vector spin glasses
Bayesian optimization package: PHYSBO
Extended RKN-type methods for numerical integration of perturbed oscillators
A performance portable implementation of the semi-Lagrangian algorithm in six dimensions
GPU-accelerated red blood cells simulations with transport dissipative particle dynamics
Corrigendum to: "A Matlab-based finite difference solver for the Poisson problem with mixed Dirichlet-Neumann boundary conditions" [Comput. Phys. Comm. 184(3) (2013) 783-798]
Nonrad: Computing nonradiative capture coefficients from first principles
Performance of the shifted minimal residual method for multiply shifted linear systems with real symmetric or complex Hermitian coefficient matrices
Nanophotonic resonators in stratified media with the nanobem toolbox
A robust fourth-order finite-difference discretization for the strongly anisotropic transport equation in magnetized plasmas
Atomic structure calculations using MCHF and BSR
Efficient parallel algorithm for statistical ion track simulations in crystalline materials
Analysis of the propagation of the femtosecond laser pulse in the scattering medium
Multi-phase SPH modelling of violent hydrodynamics on GPUs
A method for incorporating the Kerr-Schild metric in electromagnetic particle-in-cell code
ZMCintegral-v5: Support for Integrations with the scanning of large parameter space on multi-GPUs
A Monte Carlo C-code for calculating transmission efficiency of recoil separators and viewing residue trajectories
Simulating thermal boundary conditions of spin-lattice models with weighted averages
Development of vector following mesh generator for analysis of two-dimensional tokamak plasma transport
Optimized multiple quantum MAS lineshape simulations in solid state NMR
From screening to quantitative sensitivity analysis. A unified approach
Erratum to "Extended RKN-type methods for numerical integration of perturbed oscillators" [Computer Physics Communications 180 (2009) 1777-1794]
Forecasting of nonlinear dynamics based on symbolic invariance
Controlling particle penetration and depletion at the wall using Dissipative Particle Dynamics
MAELAS: MAgneto-ELAStic properties calculation via computational high-throughput approach
Direct energy minimization based on exponential transformation in density functional calculations of finite and extended systems
Design and implementation of a novel approach for long-lived particle reconstruction in LHCb experiment at CERN
Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions
POTHEA: A program for computing eigenvalues and eigenfunctions and their first derivatives with respect to the parameter of the parametric self-adjoined 2D elliptic partial differential equation
Fast calculation of retarded potentials in multi-domain TDDFT
OFF, Open source Finite volume Fluid dynamics code: A free, high-order solver based on parallel, modular, object-oriented Fortran API
Adsorption energies of Al, Ga, In, Tl on Si(111)-7×7
The LISE package: Solvers for static and time-dependent superfluid local density approximation equations in three dimensions
GALPROP WebRun: An internet-based service for calculating galactic cosmic ray propagation and associated photon emissions
A computational approach to the structural analysis of uncertain kinetic systems
An efficient tensor transpose algorithm for multicore CPU, Intel Xeon Phi, and NVidia Tesla GPU
A FFT-accelerated multi-block finite-difference solver for massively parallel simulations of incompressible flows
Variance reduction with practical all-to-all lattice propagators
Efficiency of diagonally implicit Runge-Kutta time integration schemes in incompressible two-phase flow simulations
Nektar ++: Enhancing the capability and application of high-fidelity spectral/hp element methods
Spin-box algorithm for low temperature dynamics of short range disordered Ising spin systems
Stochastic hyperfine interactions modeling library
Direct and exact compute and table of entire 3j, 6j, and 9j symbols: Erratum to CPC 120 (1999) 222-230
Practical splitting methods for the adaptive integration of nonlinear evolution equations. Part II: Comparisons of local error estimation and step-selection strategies for nonlinear Schrödinger and wave equations
chebgreen: Learning and interpolating continuous Empirical Green's Functions from data
Distributed simulation and visualization of the ALICE detector magnetic field
Quantum circuits synthesis using Householder transformations
A hybrid method combining ISPH with graph neural network for simulating free-surface flows
FOXTAIL: Modeling the nonlinear interaction between Alfvén eigenmodes and energetic particles in tokamaks
CMIstark: Python package for the Stark-effect calculation and symmetry classification of linear, symmetric and asymmetric top wavefunctions in dc electric fields
Three-dimensional simple conformal symplectic particle-in-cell methods for simulations of high power microwave devices
A robust and efficient numerical method to compute the dynamics of the rotating two-component dipolar Bose-Einstein condensates
Distributed Database Kriging for Adaptive Sampling (D 2 KAS)
On the global behavior of a high-order rational difference equation
Improving a family of Darboux methods for rational second order ordinary differential equations
FIPI: A fast numerical method for the simulation of particle-laden fluid interfaces
Kinetic scrape off layer simulations with semi-Lagrangian discontinuous Galerkin schemes
MultiHypExp: A Mathematica package for expanding multivariate hypergeometric functions in terms of multiple polylogarithms
Magic v.3: An integrated software package for systematic structure-based coarse-graining
First-principles calculation of higher-order elastic constants from divided differences
Enhancement of DFT-calculations at petascale: Nuclear Magnetic Resonance, Hybrid Density Functional Theory and Car-Parrinello calculations
molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters
The solitary wave solution of coupled Klein-Gordon-Zakharov equations via two different numerical methods
Multi-physics coupling simulation of small mobile nuclear reactor with finite element-based models
Order-N first-principles calculations with the conquest code
DNS of hydrodynamically interacting droplets in turbulent clouds: Parallel implementation and scalability analysis using 2D domain decomposition
EDRIXS: An open source toolkit for simulating spectra of resonant inelastic x-ray scattering
DiracSolver: A tool for solving the Dirac equation
Regularization of spherically symmetric evolution codes in numerical relativity
YAM2 2.0: Yet another M2 with on-shell mass constraints and beyond
Numerical methods for nonlinear simulations of cyclokinetics illustrating the breakdown of gyrokinetics at high turbulence levels
BO-KM: A comprehensive solver for dispersion relation of obliquely propagating waves in magnetized multi-species plasma with anisotropic drift kappa-Maxwellian distribution
APFELgrid : A high performance tool for parton density determinations
FIESTA 3: Cluster-parallelizable multiloop numerical calculations in physical regions
Collider physics based on e-Science paradigm of experiment-computing-theory
A special-purpose computer for exploring similar biological sequences: Bioler-2 with multi-pipeline and multi-sequence architecture
NeatIBP 1.0, a package generating small-size integration-by-parts relations for Feynman integrals
Erratum to: "A program package for the Landau distribution" [Computer Physics Communications 31 (1984) 97-111]
The N-shaped partition method: A novel parallel implementation of the Crank Nicolson algorithm
New version: Grasp2K relativistic atomic structure package
Dynamic phase transition and multicritical dynamic phase diagrams of the kinetic spin-3/2 Blume-Emery-Griffiths model with repulsive biquadratic coupling under a time-dependent oscillating external field
The Invar tensor package: Differential invariants of Riemann
A FORTRAN-90 Low-Energy Electron Diffraction program (LEED90 v1.1)
An efficient computational approach for evaluating radiation flux for laser driven inertial confinement fusion targets
Statistical algorithms for particle trajectography
Heterogeneous CPU-GPU parallelization for modeling supersonic reacting flows with detailed chemical kinetics
Gyrokinetic particle-in-cell calculations of ion temperature gradient driven turbulence with parallel nonlinearity and strong flow corrections
Parallel implementation of inverse adding-doubling and Monte Carlo multi-layered programs for high performance computing systems with shared and distributed memory
A Python program for the implementation of the Γ-method for Monte Carlo simulations
QmeQ 1.0: An open-source Python package for calculations of transport through quantum dot devices
Exploring the HMC trajectory-length dependence of autocorrelation times in lattice QCD
PLUMED-GUI: An environment for the interactive development of molecular dynamics analysis and biasing scripts
Geant4-DNA simulations using complex DNA geometries generated by the DnaFabric tool
A provably stable numerical method for the anisotropic diffusion equation in confined magnetic fields
RMT: R-matrix with time-dependence. Solving the semi-relativistic, time-dependent Schrödinger equation for general, multielectron atoms and molecules in intense, ultrashort, arbitrarily polarized laser pulses
Thermo-lp : A computational tool to evaluate reaction thermodynamics for synthesizing M n +1 AX n (MAX) phases based on linear programming optimization method
A space-time-ensemble parallel nudged elastic band algorithm for molecular kinetics simulation
A full-potential and multiscale computational scheme for interactions between ultrafast intense laser pulses and condensed medium
A group-theory method to find stationary states in nonlinear discrete symmetry systems
Comparison of trajectory based methods to find transition states
Issues in the numerical modelling of positive ion extraction
Calculation of four-particle harmonic-oscillator transformation brackets
A Not-a-Knot meshless method using radial basis functions and predictor-corrector scheme to the numerical solution of improved Boussinesq equation
Staggered grids discretization in three-dimensional Darcy convection
Polaritonic properties of the Jaynes-Cummings lattice model in two dimensions
Numerical evaluation of the Hankel transform by using linear Legendre multi-wavelets
Sampling using a 'bank' of clues
Multidimensional simulations of pair-instability supernovae
Simplified numerical model for clarifying scaling behavior in the intermediate dispersion regime in homogeneous porous media
Wealth dynamics in world trade
Modified force decomposition algorithms for calculating three-body interactions via molecular dynamics
Machine learning for transmission spectra prediction on gradient seismic metastructure
A three-dimensional solver for simulating detonation on curvilinear adaptive meshes
Application of spatial filtering high order FDTD method in the multi-physics field coupled equations
ComDMFT: A massively parallel computer package for the electronic structure of correlated-electron systems
Capture cross section with quantum diffusion approach
Debugging the FUMILIM minimization package
The study of helix-coil transition of polyalanine with single histogram method
The new version of the FUMILIM minimization package
Principal Landau determinants
Parallel Brownian dynamics simulations with the message-passing and PGAS programming models
An algebraic method for Schrödinger equations in quaternionic quantum mechanics
Preconditioned nonlinear conjugate gradient method for micromagnetic energy minimization
Pentadiagonal alternating-direction-implicit finite-difference time-domain method for two-dimensional Schrödinger equation
High performance computing for advanced modeling and simulation of materials
State Dependent Parameter metamodelling and sensitivity analysis
Three-dimensional Poisson solver for a charged beam with large aspect ratio in a conducting pipe
Acceleration of the CASINO quantum Monte Carlo software using graphics processing units and OpenACC
HighPT: A tool for high- p T Drell-Yan tails beyond the standard model
Solving the Grad-Shafranov equation with spectral elements
Limit cycles in nonlinear excitation of clusters of classical oscillators
Multi-species Rosenbluth Fokker-Planck collision operator for discontinuous Galerkin method
ngravs: Distinct gravitational interactions in gadget-2
Crystal MD: The massively parallel molecular dynamics software for metal with BCC structure
PyHTStack2D: A Python package for high-throughput homo/hetero stacking of 2D materials
Anisotropic fluid dynamical simulations of heavy-ion collisions
GRASPC - GRASP package adapted for the generation of continuum orbitals wave functions
Flowy: High performance probabilistic lava emplacement prediction
Electronic energy minimisation with ultrasoft pseudopotentials
Conditions for generating synthetic data to investigate characteristics of fluctuating quantities
turboEELS - A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory
Erratum to: Program AEAA_v1_0, "POTHMF: A program for computing potential curves and matrix elements of the coupled adiabatic radial equations for a hydrogen-like atom in a homogeneous magnetic field" [Computer Physics Communications 178 (2008) 301]
Uniform patterns formation based on Gray-Scott model for 3D printing
Vector potential-based MHD solver for non-periodic flows using Fourier continuation expansions
C and Fortran OpenMP programs for rotating Bose-Einstein condensates
Parametric cubic spline method for the solution of the nonlinear Schrödinger equation
GENXICC2.0: An upgraded version of the generator for hadronic production of double heavy baryons Xi cc , Xi bc and Xi bb
The nonlinear Landweber method applied to an inverse scattering problem for sound-soft obstacles in 3D
Scaling up to multivariate rational function reconstruction
Implementation of a Bayesian secondary structure estimation method for the SESCA circular dichroism analysis package
PAR2: Parallel Random Walk Particle Tracking Method for solute transport in porous media
Dynasor 2: From simulation to experiment through correlation functions
Efficient algorithms to compute Hankel transforms using wavelets
ANIS: High energy neutrino generator for neutrino telescopes
Hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid
Flavour Symmetry Embedded - GLoBES (FaSE-GLoBES)
A contour integral-based method for nonlinear eigenvalue problems for semi-infinite photonic crystals
A biomolecular electrostatics solver using Python, GPUs and boundary elements that can handle solvent-filled cavities and Stern layers
First-principles calculation of Z 2 topological invariants within the FP-LAPW formalism
The MIXMAX random number generator
PIC/MCC simulation of capacitively coupled discharges: Effect of particle management and integration
SO (3) quadratures in angular-momentum projection
Study on high speed parallel algorithm using PC grid environment for visualization measurements by Digital Holographic Particle Tracking Velocimetry
A unified machine learning approach for reconstructing hadronically decaying tau leptons
Axially deformed solution of the Skyrme-Hartree-Fock-Bogolyubov equations using the transformed harmonic oscillator basis (III) hfbtho (v3.00): A new version of the program
A research using hybrid RBF/Elman neural networks for intrusion detection system secure model
A web-deployed interface for performing ab initio molecular dynamics, optimization, and electronic structure in Fireball
Disconnected loop subtraction methods in lattice QCD
SuperScreen: An open-source package for simulating the magnetic response of two-dimensional superconducting devices
Optimized higher-order automatic differentiation for the Faddeeva function
Critical behavior of hard-core lattice gases: Wang-Landau sampling with adaptive windows
Classification of integrable super-systems using the SsTools environment
METAGUI. A VMD interface for analyzing metadynamics and molecular dynamics simulations
The cumulant Green's functions method for the single impurity Anderson model
Electrical impulse characterization along actin filaments in pathological conditions
SALMON: Scalable Ab-initio Light-Matter simulator for Optics and Nanoscience
Monte Carlo simulations of systems with complex energy landscapes
A parameterization of nuclear track profiles in CR-39 detector
A massively parallel spatially resolved stochastic cluster dynamics method for simulations of irradiated materials
A dynamical high-pass filter for magnetic fluctuations in full-f field-aligned turbulence codes
ALTDSE: An Arnoldi-Lanczos program to solve the time-dependent Schrödinger equation
Use of group theory for the analysis of vibrational spectra
Vlasov simulation of kinetic shear Alfvén waves
Implementation of the quasiparticle finite amplitude method within the relativistic self-consistent mean-field framework: The program DIRQFAM
Effective discrepancy and numerical experiments
All electron GW with linearized augmented plane waves for metals and semiconductors
POLALMM: A program to compute polarizabilities for nominal one-electron systems using the Lagrange-mesh method
Implementing the density matrix embedding theory with the hierarchical mean-field approach
FIRE5: A C++ implementation of Feynman Integral REduction
Instability of pedestrian flow in 2D optimal velocity model with attractive interaction
A non-iterative method for vertex corrections of the Kubo formula for electric conductivity
Least square based method for obtaining one-particle spectral functions from temperature Green functions
Ninja: Automated integrand reduction via Laurent expansion for one-loop amplitudes
Brownian Disks Lab: Simulating time-lapse microscopy experiments for exploring microrheology techniques and colloidal interactions
RGE++: A C++ library to solve renormalisation group equations in quantum field theory
Mixed Cayley and Cartesian sampling for fast and accurate coverage and configurational entropy computation
Van der Waals density functional calculations of binding in molecular crystals
Erratum to "A study of dynamic finite size scaling behavior of the scaling functions - calculation of dynamic critical index of Wolff algorithm" [Computer Physics Communications 166 (2005) 1-7]
BORAY: A ray tracing code for various magnetized plasma configurations
An exact D-dimensional Tsallis random number generator for generalized simulated annealing
BAT - The Bayesian analysis toolkit
A code for analysis of the fine structure in near-rigid weakly-bonded open-shell complexes that consist of a diatomic radical in a 3 Sigma state and a closed-shell molecule
Numerical simulation of the N-dimensional sine-Gordon equation via operational matrices
Numerical computation of p-values with myFitter
Pattern information extraction from crystal structures
AI-aided multiscale modeling of physiologically-significant blood clots
The lifetime of micron scale topological chiral magnetic states with atomic resolution
Line-by-line spectroscopic simulations on graphics processing units
Acceleration of the Arnoldi method and real eigenvalues of the non-Hermitian Wilson-Dirac operator
Weakly convergent stochastic simulation of electron collisions in plasmas
Improved velocity-Verlet algorithm for the discrete element method
PArthENoPE: Public algorithm evaluating the nucleosynthesis of primordial elements
MPI + OpenACC: Accelerating radiation transport mini-application, minisweep, on heterogeneous systems
Optimizations of the energy grid search algorithm in continuous-energy Monte Carlo particle transport codes
A perturbation method for guiding center orbit following calculations in the presence of Coulomb collisions
Vectorized data acquisition and fast triple-correlation integrals for Fluorescence Triple Correlation Spectroscopy
Erratum to: Small scale localization in turbulent flows. A priori tests applied to a possible Large Eddy Simulation of compressible turbulent flows [Computer Physics Communications 176 (2007) 539-549]
Exponential high-order compact scheme on nonuniform grids for the steady MHD duct flow problems with high Hartmann numbers
HALO: A full-orbit model of nonlinear interaction of fast particles with eigenmodes