DL_POLY

swMATH9140MaRDI QIDQ21133FDOQ21133

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Official website: http://www.ccp5.ac.uk/DL_POLY_CLASSIC/

Cited In (48)

• BurnMan
• tricubic-treecodes
• Title not available (Why is that?)
• Performance of the 3D FFT on the 6D network torus QCDOC parallel supercomputer
• Multiscale modeling and simulation of single-crystal mgo through an atomistic field theory
• DL_POLY: Application to molecular simulation
• Analyses of tensile deformation of nanocrystalline \(\alpha-\text{Fe}_2\text{O}_3+fcc-\)Al composites using molecular dynamics simulations
• The Effect of Global Smoothness on the Accuracy of Treecodes
• Evolution of nanoscale defects to planar cracks in a brittle solid
• Molecular dynamics. With deterministic and stochastic numerical methods
• Novel mechanical behavior of ZnO nanorods
• Collective mode mining from molecular dynamics simulations: a comparative approach
• Reflections on the conformation, topology and thermodynamics of a polyelectrolyte chain in the presence of counterions with plausible applications
• AMBER
• CHARMM
• PLUMED
• ESPResSo
• PNFFT
• DL_POLY_3
• \texttt{DL\_POLY\_2} adaptations for solvation studies
• MDAnalysis
• General purpose molecular dynamics simulations fully implemented on graphics processing units
• HOOMD-blue
• KMCLib
• WHAM
• DASHMM
• RECFMM
• DeePMD-kit
• RASPA
• ScalFMM
• ReaxFF
• MAVEN
• FMM3D
• ASE
• DL_MONTE
• dlmontepython
• On the estimation of the curvatures and bending rigidity of membrane networks via a local maximum-entropy approach
• Fast electrostatic solvers for kinetic Monte Carlo simulations
• Coarse-grained atomistic simulation of dislocations
• DL_POLY_3: the CCP5 national UK code for molecular–dynamics simulations
• Characterizing the fracture parameters of a graphene sheet using atomistic simulation and continuum mechanics
• Non-equilibrium molecular dynamics simulation study of heat transport in hexahydro-1,3,5-trinitro-s-triazine (RDX)
• A boundary element method for the analysis of CNT/polymer composites with a cohesive interface model based on molecular dynamics
• Deconstructing classical water models at interfaces and in bulk
• Length-scale dependence of hydration free energy: effect of solute charge
• Continuum interpretation of virial stress in molecular simulations
• A highly vectorised ``link-cell FORTRAN code for the DL\_POLY molecular dynamics simulation package
• The General Utility Lattice Program (<scp>GULP</scp>)

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