LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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Publication:6156946
DOI10.1016/J.CPC.2021.108171zbMATH Open1516.74108OpenAlexW3201073812WikidataQ115045125 ScholiaQ115045125MaRDI QIDQ6156946FDOQ6156946
Authors: Aidan P. Thompson, Hasan Metin Aktulga, Richard Berger, Dan S. Bolintineanu, W. Michael Brown, Paul S. Crozier, Pieter J. in 't Veld, Axel Kohlmeyer, Stan G. Moore, Trung Dac Nguyen, Ray Shan, Mark J. Stevens, Julien Tranchida, Christian Trott, Steven J. Plimpton 
Publication date: 19 June 2023
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2021.108171
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Learning and adaptive systems in artificial intelligence (68T05) Parallel numerical computation (65Y05) Molecular, statistical, and kinetic theories in solid mechanics (74A25) Numerical and other methods in solid mechanics (74S99)
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Cited In (44)
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- Proper orthogonal descriptors for multi-element chemical systems
- Implementation of Green's function molecular dynamics: an extension to LAMMPS
- A spatial upscaling method for describing the three-body potential of a diamond lattice structure
- LAMMPS lb/fluid fix version 2: improved hydrodynamic forces implemented into LAMMPS through a lattice-Boltzmann fluid
- mdapy: a flexible and efficient analysis software for molecular dynamics simulations
- Virtual lattice method for efficient Monte Carlo transport simulation of dispersion nuclear fuels
- A Riemannian stochastic representation for quantifying model uncertainties in molecular dynamics simulations
- Determination of characteristic lengths of fcc metals within anisotropic second strain gradient theory using molecular simulations
- Impact of the unimodal molar mass distribution on the mechanical behavior of polymer nanocomposites below the glass transition temperature: a generic, coarse-grained molecular dynamics study
- Development of an automated reliable method to compute transport properties from DPD equilibrium simulations: application to simple fluids
- Efficient determination of free energies of non-ideal solid solutions via hybrid Monte Carlo simulations
- Spherical harmonic-based dem in LAMMPS: Implementation, verification and performance assessment
- A critical review on molecular dynamics applied to structure fracture and failure analysis
- On the application of non-Gaussian noise in stochastic Langevin simulations
- Molecular kinetic modelling of non-equilibrium transport of confined van der Waals fluids
- Unveiling the anatomy of mode-coupling theory
- Adaptive stochastic morphology simulation and mesh generation of high-quality 3D particulate composite microstructures with complex surface texture
- Stochastic symplectic reduced-order modeling for model-form uncertainty quantification in molecular dynamics simulations in various statistical ensembles
- Fracture properties of green nano fibrous network with random and aligned fiber distribution: a hierarchical molecular dynamics and peridynamics approach
- Molecular dynamics inferred transfer learning models for finite‐strain hyperelasticity of monoclinic crystals: Sobolev training and validations against physical constraints
- Efficient lattice Green's function method for bounded domain problems
- The stress in static granular media under gravity
- Finite element method–discrete element method bridging coupling for the modeling of gouge
- Fluctuation-driven dynamics of liquid nano-threads with external hydrodynamic perturbations
- Delocalized nonlinear vibrational modes in Ni\(_3\)Al
- Weak (non)conservation and stochastic dynamics of angular momentum
- On the definition of velocity in discrete-time, stochastic Langevin simulations
- Data-driven Whitney forms for structure-preserving control volume analysis
- On the thermal properties of pure and defective \(\Psi\)-graphene nanotubes by molecular dynamics simulations
- Multiscale simulation of nanodrop over surfaces with varying hydrophilicity
- Domain partitioning material point method for simulating shock in polycrystalline energetic materials
- qvasp: a flexible toolkit for VASP users in materials simulations
- Bottom-Up Transient Time Models in Coarse-Graining Molecular Systems
- Proper orthogonal descriptors for efficient and accurate interatomic potentials
- Surface and size effects on the mechanical response of plates with a view to porous materials
- An approach using molecular dynamics to connect biomaterials with solar systems to increase the amount of renewable energy: application in built environments
- Vorotis: software for Voronoi tessellation analysis using the polyhedron code
- Theory and simulation of electrokinetic fluctuations in electrolyte solutions at the mesoscale
- SPIRAL: an efficient algorithm for the integration of the equation of rotational motion
- Effect of polycaprolactone percentage on thermal and mechanical behavior of polyurethane/polycaprolactone/Graphene oxide nanocomposite utilizing molecular dynamics simulation
- Random Batch Sum-of-Gaussians Method for Molecular Dynamics Simulations of Particle Systems
- Collective diffusion in a two-dimensional liquid composed of Janus particles
- Discrete gradients in short-range molecular dynamics simulations
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