yusuke1997/dblp-id-title huggingface dataset:
SIMD vectorization for the Lennard-Jones potential with AVX2 and AVX-512 instructions
How to predict very large and complex crystal structures
All-electron formalism for total energy strain derivatives and stress tensor components for numeric atom-centered orbitals
Optimised three-dimensional Fourier interpolation: An analysis of techniques and application to a linear-scaling density functional theory code
pfd-parallel, a Singular/GPI-Space package for massively parallel multivariate partial fractioning
A re-formulation of the transfer matrix method for calculating wave-functions in higher dimensional disordered open systems
Improved Green's function measurement for hybridization expansion quantum Monte Carlo
The dynamic parallel distribution algorithm for hybrid density-functional calculations in HONPAS package
Fuchsia : A tool for reducing differential equations for Feynman master integrals to epsilon form
A method for generating reliable atomistic models of amorphous polymers based on a random search of energy minima
GMXPBSA 2.1: A GROMACS tool to perform MM/PBSA and computational alanine scanning
Computational Partial Differential Equations - Numerical Methods and Diffpack Programming: Hans Petter Langtangen, second ed., Springer-Verlag, Berlin, 2003, 855 pages, ISBN 3-540-43416-X, ISSN 1611-0994
Towards a more consistent discretization scheme for adaptive implicit RHD computations
Massively parallel quantum computer simulator
Going chiral: twisted mass versus overlap fermions
FEMSIM + HRMC: Simulation of and structural refinement using fluctuation electron microscopy for amorphous materials
'tripleint_cc': A program for 2-centre variational leptonic Coulomb potential matrix elements using Hylleraas-type trial functions, with a performance optimization study
Electric modulation effect on magneto-optical spectrum of monolayer graphene
Modelling uncertainty in incompressible flow simulation using Galerkin based generalized ANOVA
On the use of autoencoders to study the dynamics and the causality relations of complex systems with applications to nuclear fusion
Grand Canonical adaptive resolution simulation for molecules with electrons: A theoretical framework based on physical consistency
Surface melting of superheated crystals. Atomistic simulation study
Medical module for Hyper-Fractal Analysis
Resonant coherent excitation of hydrogen-like ions planar channeled in a crystal; Transition into the first excited state
Automated tip functionalization via machine learning in scanning probe microscopy
Phonon Unfolding: A program for unfolding phonon dispersions of materials
Tokamak coordinate conventions: COCOS
Simulation of dark bremsstrahlung in Geant4
A new mechanism for metastability of under-saturated traffic responsible for time-delayed traffic breakdown at the signal
Finite-difference time-domain simulation of acoustic propagation in dispersive medium: An application to bubble clouds in the ocean
MCGPU-PET: An open-source real-time Monte Carlo PET simulator
Cucheb: A GPU implementation of the filtered Lanczos procedure
AlterBBN v2: A public code for calculating Big-Bang nucleosynthesis constraints in alternative cosmologies
Boundary condition considerations in lattice Boltzmann formulations of wetting binary fluids
X-ray spectrometer simulation code with a detailed support of mosaic crystals
A framework for synthetic diagnostics using energetic-particle orbits in tokamaks
URANOS: A GPU accelerated Navier-Stokes solver for compressible wall-bounded flows
Generating relativistic pseudo-potentials with explicit incorporation of semi-core states using APE, the Atomic Pseudo-potentials Engine
Quantum Unfolding: A program for unfolding electronic energy bands of materials
porousMultiphaseFoam v2107: An open-source tool for modeling saturated/unsaturated water flows and solute transfers at watershed scale
Mesoscale SPH modeling of fluid flow in isotropic porous media
Reducing complexity: An iterative strategy for parameter determination in biological networks
A hybrid Eulerian-Lagrangian Vlasov method for nonlinear wave-particle interaction in weakly inhomogeneous magnetic field
Data-driven, multi-moment fluid modeling of Landau damping
The Möbius domain wall fermion algorithm
Accuracy and stability enhancements in the incompressible finite-volume-particle method for multiphase flow simulations
Solution of Hallen's integral equation using multiwavelets
A GPU-based compact conservative characteristic finite volume parallel algorithm for advection diffusion equations
Coupling between a multi-physics workflow engine and an optimization framework
A compact split-step finite difference method for solving the nonlinear Schrödinger equations with constant and variable coefficients
Generation of fusion and fusion-evaporation reaction cross-sections by two-step machine learning methods
Memory transfer optimization for a lattice Boltzmann solver on Kepler architecture nVidia GPUs
Solving microscopic flow problems using Stokes equations in SPH
Comparison of multiobjective optimization methods for the LCLS-II photoinjector
Large-scale flow simulations using lattice Boltzmann method with AMR following free-surface on multiple GPUs
A LAMMPS implementation of granular mechanics: Inclusion of adhesive and microscopic friction forces
Fast supersymmetry phenomenology at the Large Hadron Collider using machine learning techniques
Stochastic weighted particle control for electrostatic particle-in-cell Monte Carlo collision simulations in an axisymmetric coordinate system
Transparent boundary conditions for higher-order finite-difference schemes of the Schrödinger equation in (1+1)D
HRMC_2.1: Hybrid Reverse Monte Carlo method with silicon, carbon, germanium and silicon carbide potentials
Accelerating Gaussian beam tracing method with dynamic parallelism on graphics processing units
2HDMC - two-Higgs-doublet model calculator
X-ray diffraction data-assisted structure searches
Solving surface structures from normal incidence X-ray standing wave data
RHEED intensities from two-dimensional heteroepitaxial nanoscale systems of GaN on AlN(0 0 0 1) and AlN(0 0 0 1¯) surfaces
Mathematical modelling in science and mathematics education
An improved dissipative coupling scheme for a system of Molecular Dynamics particles interacting with a Lattice Boltzmann fluid
Simulation of n-qubit quantum systems. IV. Parametrizations of quantum states, matrices and probability distributions
A moving-grid approach for fluid-structure interaction problems with hybrid lattice Boltzmann method
TBPLaS: A tight-binding package for large-scale simulation
Study α decay and proton emission based on data-driven symbolic regression
An efficient analytical approach for solving fourth order boundary value problems
PyR@TE 2: A Python tool for computing RGEs at two-loop
Perturbation approach to ab initio effective mass calculations
CIJET: A program for computation of jet cross sections induced by quark contact interactions at hadron colliders
A detailed analysis of communication load balance on BlueGene supercomputer
GPU-based cluster-labeling algorithm without the use of conventional iteration: Application to the Swendsen-Wang multi-cluster spin flip algorithm
Quantum annealing with Jarzynski equality
Update of UCL computer codes for the calculation of fine-structure electron-atom collision cross-section
ZMCintegral-v5.1: Support for multi-function integrations on GPUs
Implementation of a direct-addressing based lattice Boltzmann GPU solver for multiphase flow in porous media
POINCARÉ CODE: A package of open-source implements for normalization and computer algebra reduction near equilibria of coupled ordinary differential equations
The Ising model with Hybrid Monte Carlo
PyLIT: Reformulation and implementation of the analytic continuation problem using kernel representation methods
CORSIKA implementation of heavy quark production and propagation in extensive air showers
Extending StringSpinner to handle vector-meson spin
An Eulerian Vlasov-Fokker-Planck algorithm for spherical implosion simulations of inertial confinement fusion capsules
A Fortran 90 Hartree-Fock program for one-dimensional periodic π-conjugated systems using Pariser-Parr-Pople model
An implicit time integration approach for simulation of corona discharges
CaSPA - an algorithm for calculation of the size of percolating aggregates
Dissecting van der Waals interactions with density functional theory - Wannier-basis approach
Implementation of the iterative finite-difference time-domain technique for simulation of periodic structures at oblique incidence
Efficient vectorised kernels for unstructured high-order finite element fluid solvers on GPU architectures in two dimensions
A linearly-implicit and conservative Fourier pseudo-spectral method for the 3D Gross-Pitaevskii equation with angular momentum rotation
Optimized parallelization of boundary integral Poisson-Boltzmann solvers
Automated symbolic calculations in nonequilibrium thermodynamics
An approach to exascale visualization: Interactive viewing of in-situ visualization
Introducing SummerTime: A package for high-precision computation of sums appearing in DRA 1 method
A new Particle-in-Cell method for modeling magnetized fluids
Bayesim: A tool for adaptive grid model fitting with Bayesian inference
THERMINATOR 2: THERMal heavy IoN generATOR 2
A parallel implementation of the Wang-Landau algorithm
The two-electron atomic systems. S-states
Simulation of photons from plasmas for the applications to display devices
CPMC-Lab: A Matlab package for Constrained Path Monte Carlo calculations
Molecular dynamics simulations of the Trp repressor-DNA complex and the AV77 mutant
Unconditionally energy-stable linear convex splitting algorithm for the L2 quasicrystals
Unique visualization of multiply oriented lattice structures using a continuous wavelet transform
SUSY Les Houches Accord 2
Massively parallel microscopic particle-in-cell
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
FlexibleDecay: An automated calculator of scalar decay widths
LAVA 1.0: A general-purpose python toolkit for calculation of material properties with LAMMPS and VASP
Adaptive mesh refinement in semi-implicit particle-in-cell method
A lifted local Galerkin method for solving the reaction-diffusion equations on implicit surfaces
Hybrid eigensolvers for nuclear configuration interaction calculations
On the delta function broadening in the Kubo-Greenwood equation
Computing all possible graph structures describing linearly conjugate realizations of kinetic systems
GRANDlib: A simulation pipeline for the Giant Radio Array for Neutrino Detection (GRAND)
Hybrid multi-head physics-informed neural network for depth estimation in terahertz imaging
An alternative GPU acceleration for a pseudopotential plane-waves density functional theory code with applications to metallic systems
SusHi: A program for the calculation of Higgs production in gluon fusion and bottom-quark annihilation in the Standard Model and the MSSM
Collision-free spatial hash functions for structural analysis of billion-vertex chemical bond networks
GREENY: A full-F 2D gyrofluid reconnection code
PrecisionLauricella: Package for numerical computation of Lauricella functions depending on a parameter
Interface tool from Wannier90 to RESPACK: wan2respack
A compact gas-kinetic scheme with scalable hp multigrid acceleration for steady-state computation on 3D unstructured meshes
A transport simulation code for inertial confinement fusion relevant laser-plasma interaction
ACFlow: An open source toolkit for analytic continuation of quantum Monte Carlo data
Doubly excited resonance states of two-electron systems in exponential cosine-screened Coulomb potentials
PENGEOM - A general-purpose geometry package for Monte Carlo simulation of radiation transport in complex material structures (New Version Announcement)
Kω - Open-source library for the shifted Krylov subspace method of the form (zI-H)x=b
ES2MS: An interface package for passing self-consistent charge density and potential from Electronic Structure codes To Multiple Scattering codes
Matrix algorithms for solving (in)homogeneous bound state equations
Quintic B-spline collocation method for second order mixed boundary value problem
Accelerating finite-rate chemical kinetics with coprocessors: Comparing vectorization methods on GPUs, MICs, and CPUs
Verification and validation of the open-source plasma fluid code: Zapdos
Anderson acceleration method of finding steady-state particle size distribution for a wide class of aggregation-fragmentation models
GHW: A simulation code for gyrofluid Hasegawa-Wakatani plasma turbulence
QuTiP: An open-source Python framework for the dynamics of open quantum systems
Nauticle: A general-purpose particle-based simulation tool
HTMPC: A heavily templated C++ library for large scale particle-based mesoscale hydrodynamics simulations using multiparticle collision dynamics
mbsolve: An open-source solver tool for the Maxwell-Bloch equations
MEAMfit: A reference-free modified embedded atom method (RF-MEAM) energy and force-fitting code
UCNS3D: An open-source high-order finite-volume unstructured CFD solver
Level set method for two-phase incompressible flows under magnetic fields
SuSpect: A Fortran code for the Supersymmetric and Higgs particle spectrum in the MSSM
Multi-physics simulations using a hierarchical interchangeable software interface
Application of the method of fundamental solutions and radial basis functions for inverse transient heat source problem
An exponential integrator/WENO discretization for sonic-boom simulation on modern computer hardware
QEngine: A C++ library for quantum optimal control of ultracold atoms
Monte Carlo event generators in atomic collisions: A new tool to tackle the few-body dynamics
Large-eddy simulation of hypersonic flows. Selective procedure to activate the sub-grid model wherever small scale turbulence is present
Impact of large cutoff-effects on algorithms for improved Wilson fermions
Transport coefficients for modeling fission dynamics
Interfacial micro-currents in continuum-scale multi-component lattice Boltzmann equation hydrodynamics
ARTEMIS: Ab initio restructuring tool enabling the modelling of interface structures
WavePacket: A Matlab package for numerical quantum dynamics.II: Open quantum systems, optimal control, and model reduction
Crack-tip stress shielding by a hard fiber in beta-SiC: an atomistic study
SEMPO - Retrieving Complex poles, residues and zeros from arbitrary real spectral responses
New multi-GPU implementation for smoothed particle hydrodynamics on heterogeneous clusters
Hyper Boris integrators for kinetic plasma simulations
Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach
Dielectric anisotropy in the GW space-time method
Revision of wFMM - A Wideband Fast Multipole Method for the two-dimensional complex Helmholtz equation
Introducing MCgrid 2.0: Projecting cross section calculations on grids
Atomic self-consistent-field program by the basis set expansion method: Columbus version
An investigation of soft-core potentials for the simulation of mesogenic molecules and molecules composed of rigid and flexible segments
High-performance generation of the Hamiltonian and Overlap matrices in FLAPW methods
One-dimensional simulation of nitrogen dielectric barrier discharge driven by a quasi-pulsed power source and its comparison with experiments
pCI: A parallel configuration interaction software package for high-precision atomic structure calculations
A symmetric eight-step predictor-corrector method for the numerical solution of the radial Schrödinger equation and related IVPs with oscillating solutions
A computer program to evaluate the NVM propagator for rigid asymmetric tops for use in path integral simulations of rigid bodies
Update of the Binoth Les Houches Accord for a standard interface between Monte Carlo tools and one-loop programs
PyFocus - A Python package for vectorial calculations of focused optical fields under realistic conditions. Application to toroidal foci
Finite-volume converged ENO scheme with adaptive mesh resolution for steady-state compressible flow simulation
NOMAD VR: Multiplatform virtual reality viewer for chemistry simulations
Symbolic algorithms for the computation of Moshinsky brackets and nuclear matrix elements
The essential role of visualization for modeling nanotubes and nanodiamond
Reconfigured continuous normalized gradient flow for computing ground states of Bose-Einstein condensates
Pushing memory bandwidth limitations through efficient implementations of Block-Krylov space solvers on GPUs
Geometrical phase transitions
Three-dimensional variable resolution for multi-scale modeling in Smoothed Particle Hydrodynamics
A modern workflow for force-field development - Bridging quantum mechanics and atomistic computational models
POLARIS: The POLArized RadIation Simulator for Mie scattering in optically thick dusty plasmas
Solution of the Schrödinger equation by a high order perturbation method based on a linear reference potential
Lambda: A Mathematica package for operator product expansions in vertex algebras
Precision calculations in the MSSM Higgs-boson sector with FeynHiggs 2.14
Physics-driven complex relaxation for multi-body systems of SPH method
Elegent - An elastic event generator
Energy-conserving explicit and implicit time integration methods for the multi-dimensional Hermite-DG discretization of the Vlasov-Maxwell equations
tapir: A tool for topologies, amplitudes, partial fraction decomposition and input for reductions
Improved collision operator for plasma kinetic simulations with multi-species ions and electrons
Multi-GPU and multi-CPU accelerated FDTD scheme for vibroacoustic applications
JADAMILU: a software code for computing selected eigenvalues of large sparse symmetric matrices
Evaluation of fermion loops applied to the calculation of the η mass and the nucleon scalar and electromagnetic form factors
Implementation of dynamic coupling in hybrid Molecular Dynamics-Lattice Boltzmann approach: Modeling aggregation of amphiphiles
Some new strategies for RCM ordering in solving electromagnetic scattering problems
Animating collider processes with event-time-frame format
An approach for dynamically adaptable SIMD vectorization of FEM kernels
The victory project v1.0: An efficient parquet equations solver
A statistical model of fracture for a 2D hexagonal mesh: The Cell Network Model of Fracture for the bamboo Guadua angustifolia
nuSQuIDS: A toolbox for neutrino propagation
Computer simulations of the collective displacement of self-propelled agents
Calculation of optical properties with spin-orbit coupling for warm dense matter
Selecting the kernel in a peridynamic formulation: A study for transient heat diffusion
Open-source computational model of a solid oxide fuel cell
Accurate plasma boundary calculation using linear triangular finite elements
Surfing on curved surfaces - The Maple Package Surf
Petascale molecular dynamics simulation using the fast multipole method on K computer
A finite difference construction of the spheroidal wave functions
Collider limits on new physics within micrOMEGAs_4.3
Incompressible SPH (ISPH) with fast Poisson solver on a GPU
Cerman: Software for simulating streamer propagation in dielectric liquids based on the Townsend-Meek criterion
clumpy: A code for γ-ray signals from dark matter structures
An unconditionally-stable well-posed relativistic particle pusher
XtalOpt version 14: Variable-composition crystal structure search for functional materials through Pareto optimization
Real-space density functional theory and time dependent density functional theory using finite/infinite element methods
Multi-GPU codes for spin systems simulations
BilKristal 4.0: A tool for crystal parameters extraction and defect quantification
AFMM: A molecular mechanics force field vibrational parametrization program
Physics-oriented optimization strategy for the energy lookup algorithm in continuous energy Monte Carlo neutron transport simulation
Rings: An efficient Java/Scala library for polynomial rings
Application of preconditioned block BiCGGR to the Wilson-Dirac equation with multiple right-hand sides in lattice QCD
Transport coefficients in the Fourier shape parametrization
Hfszeeman95 - A program for computing weak and intermediate magnetic-field- and hyperfine-induced transition rates
QRAP: A numerical code for projected (Q)uasiparticle (RA)ndom (P)hase approximation
Frozen Gaussian approximation-based two-level methods for multi-frequency Schrödinger equation
A simple non-Markovian computational model of the statistics of soccer leagues: Emergence and scaling effects
Algorithm for computing the electron-positron yield from the linear Breit-Wheeler process in high-intensity laser-plasma interactions
Numerical methods for kinetic equations in semiconductor superlattices
Some new uses of the eta m (Z) functions
Scaling properties of a parallel implementation of the multicanonical algorithm
PANNA: Properties from Artificial Neural Network Architectures
: An open source continuous-time quantum Monte Carlo impurity solver toolkit
A novel model for direct numerical simulation of suspension dynamics with arbitrarily shaped convex particles
Fast clear-sky solar irradiation computation for very large digital elevation models
Nonlinear processes during the interaction of a petawatt laser pulse with a plasma in the presence of an external magnetic field
A domain decomposition parallelization scheme for the Poisson equation in particle-in-cell simulation
A comment on the article " Ab initio calculations of pressure-dependence of high-order elastic constants using finite deformations approach" by I. Mosyagin, A.V. Lugovskoy, O.M. Krasilnikov, Yu.Kh. Vekilov, S.I. Simak and I.A. Abrikosov [Computer Physics Communications 220 (2017) 20-30]
Accelerating polymer simulation by means of tree data-structures and a parsimonious Metropolis algorithm
S-states of helium-like ions
Change point detection of events in molecular simulations using dupin
GridapROMs.jl: Efficient reduced order modelling in the Julia programming language
A hybrid Jacobi-Davidson method for interior cluster eigenvalues with large null-space in three dimensional lossless Drude dispersive metallic photonic crystals
A Hybridizable Discontinuous Galerkin solver for the Grad-Shafranov equation
FOCUS: A full-orbit CUDA solver for particle simulations in magnetized plasmas
Fourth-order compact difference and alternating direction implicit schemes for telegraph equations
MagneticTB: A package for tight-binding model of magnetic and non-magnetic materials
Stream function-velocity-magnetic induction compact difference method for the 2D steady incompressible full magnetohydrodynamic equations
Two-dimensional semiclassical Particle-In-Cell code for simulation of quantum plasmas
Numerical algorithm for the standard pairing problem based on the Heine-Stieltjes correspondence and the polynomial approach
detonationFoam: An open-source solver for simulation of gaseous detonation based on OpenFOAM
Quark Contraction Tool - QCT
Numerical solution of the Vlasov-Poisson system using generalized Hermite functions
SCELib3.0: The new revision of SCELib, the parallel computational library of molecular properties in the Single Center Approach
SuperIso Relic v4: A program for calculating dark matter and flavour physics observables in supersymmetry
QTRAJ 1.0: A Lindblad equation solver for heavy-quarkonium dynamics
Maple procedures for the coupling of angular momenta. IX. Wigner D-functions and rotation matrices
A new multilevel method for electrostatic problems through hierarchical loop basis
mxpfit: A library for finding optimal multi-exponential approximations
Simulation of quantum key expansion using quantum cellular automata
Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
On the evaluation of the Appell F 2 double hypergeometric function
A fully synthetic turbulent boundary condition with a homogeneous vortex distribution
1D3V electrostatic implicit particle simulation method in spherical axisymmetric geometry