The Art of Molecular Dynamics Simulation
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- Efficient parallel implementation of Ewald summation in molecular dynamics simulations on multi-core platforms
- Dynamic properties of quasi-confined colloidal hard-sphere liquids near the glass transition
- Modern methods and software systems of molecular modeling and application of behavior algebra
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- MD analysis of heat transfer of carbon nanotube flow on nanopumping process to improve the hydrodynamic and thermal performances
- PCM examine of silica/decane nanostructure in the presence of copper oxide nanoparticles to improve the solar energy capacity of glass in the solar collectors via MD approach
- Stochastic theory of the classical molecular dynamics method
- Pressure of Coulomb systems with volume-dependent long-range potentials
- On the dynamics of axonal membrane: ion channel as the basic unit of a deterministic model
- A smooth dissipative particle dynamics method for nonisothermal liquid and gas flows in bounded domains
- The duality between a non-Hermitian two-state quantum system and a massless charged particle
- On one boundary model in problems of gas flow around solids
- Theoretical and numerical comparison of some sampling methods for molecular dynamics
- Stability and size-dependency of Cauchy-Born hypothesis in three-dimensional applications
- scientific article; zbMATH DE number 1959567 (Why is no real title available?)
- Parallel hybrid particle/finite volume algorithm for transported PDF methods employing sub-time stepping
- Molecular dynamics beyonds the limits: Massive scaling on 72 racks of a BlueGene/P and supercooled glass dynamics of a 1 billion particles system
- Off-lattice pattern recognition scheme for kinetic Monte Carlo simulations
- Shock propagation in the hard sphere gas in two dimensions: comparison between simulations and hydrodynamics
- Hard sphere simulation by event-driven molecular dynamics: breakthrough, numerical difficulty, and overcoming the issues
- Elastoplastic model of rocks with a linear structural parameter
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- Molecular dynamics simulation of a two-dimensional Heisenberg fluid
- Stochastic modeling of transport coefficients of liquids
- Molecular dynamic calculation of technical gases macroparameters on example of argon, nitrogen, hydrogen and methane
- Temporal reversibility of reactive systems out of equilibrium: molecular dynamics simulation
- Nonlinear stability and vibration of imperfect CNTs by doublet mechanics
- Coupling of nonlocal and local continuum models by the Arlequin approach
- Coarse-grained modeling with hierarchical deformable and rigid assemblages (HiDRA)
- Introduction to molecular dynamics simulation
- A cohesive law for carbon nanotube/polymer interfaces based on the van der Waals force
- Computational methods to study the structure and dynamics of biomolecules and biomolecular processes. From bioinformatics to molecular quantum mechanics
- Nonlinear bending and thermal postbuckling of magneto-electro-elastic nonlocal strain-gradient beam including surface effects
- A semi-analytical approach to molecular dynamics
- Genesis of the multiscale approach for materials with microstructure
- A multilevel-skin neighbor list algorithm for molecular dynamics simulation
- Molecular dynamics method for numerical study of thermal performance of hexacosane PCM in a Cu-nanochannel
- Linear algebra of reduced units and discussion of temperature parameters in scientific computations
- Dissipative particle dynamics simulation of multiphase fluid flow in microchannels and microchannel networks
- A finite element formulation for the doublet mechanics modeling of microstructural materials
- An adaptive FE-MD model coupling approach
- Acceleration techniques for semiclassical Maxwell-Bloch systems: an application to discrete quantum dot ensembles
- On the application of non-Gaussian noise in stochastic Langevin simulations
- Molecular modeling and simulation. An interdisciplinary guide.
- An introduction to molecular dynamics simulation
- Diffusion in a strained cubic crystal
- Heat transfer characteristics and pressure variation in a nanoscale evaporating meniscus
- Effect of wall roughness on shear viscosity and diffusion in nanochannels
- Computer simulations of molecules and condensed matter. From electronic structures to molecular dynamics
- Approximate closed-form solutions for vibration of nano-beams of local/non-local mixture
- retQSS: a novel methodology for efficient modeling and simulation of particle systems in reticulated geometries
- Studying ballistic aggregation phenomena through efficient time stepping approaches
- Systematic derivation of angular-averaged Ewald potential
- Spectral estimation from simulations via sketching
- Molecular dynamics modelling of interacting magnetic nanoparticles for investigating equilibrium and dynamic ensemble properties
- Continuum shell model for buckling of single-walled carbon nanotubes with different chiral angles
- Smoothed particle hydrodynamics (SPH): an overview and recent developments
- Superstatistics as the thermodynamic limit of driven classical systems
- scientific article; zbMATH DE number 1984950 (Why is no real title available?)
- Numerical implementation of the exact dynamics of free rigid bodies
- Study for the particle's scale effect on some thermophysical properties of nanofluids by a simplified molecular dynamics method
- Transport properties of liquid argon in krypton nanochannels: Anisotropy and non-homogeneity introduced by the solid walls
- Molecular dynamics in arbitrary geometries: Parallel evaluation of pair forces
- Influence of travelling surface waves on nanofluidic viscosity
- Simulating flow of DNA suspension using dissipative particle dynamics
- Scale effect on flow and thermal boundaries in micro-/nano-channel flow using molecular dynamics-continuum hybrid simulation method
- Molecular dynamics. With deterministic and stochastic numerical methods
- Laser-induced heating of dynamic particulate depositions in additive manufacturing
- Towards auto-tuning multi-site molecular dynamics simulations with autopas
- Hybrid molecular-continuum methods: from prototypes to coupling software
- From Molecular Dynamics and Particle Simulations towards Constitutive Relations for Continuum Theory
- Stochastic symplectic reduced-order modeling for model-form uncertainty quantification in molecular dynamics simulations in various statistical ensembles
- The study on interface characteristics near the metal wall by a molecular dynamics method
- On the accuracy of the Hertz model to describe the normal contact of soft elastic spheres
- Selective damping method for the weak-Arlequin coupling of molecular dynamics and finite element method
- The atomistic-continuum hybrid taxonomy and the hybrid-hybrid approach
- An XFEM/level set approach to modelling surface/interface effects and to computing the size-dependent effective properties of nanocomposites
- A multiscale MD-FE model of diffusion in composite media with internal surface interaction based on numerical homogenization procedure
- Interaction-Based Computing in Physics
- Prediction of nonlocal elasticity parameters using high-throughput molecular dynamics simulations and machine learning
- Simulation of instabilities in thin nanostructures by a perturbation approach
- A coupled discrete element lattice Boltzmann method for the simulation of fluid-solid interaction with particles of general shapes
- Moduli spaces and macromolecules
- Molecular dynamics simulation of strongly correlated dusty plasmas
- Multibillion-atom molecular dynamics simulation: design considerations for vector-parallel processing
- A numerical investigation of the jamming transition in traffic flow on diluted planar networks
- Molecular dynamics multidimensional scaling
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