DL_POLY
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Software:21133
swMATH9140MaRDI QIDQ21133FDOQ21133
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Cited In (25)
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- 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
- Reflections on the conformation, topology and thermodynamics of a polyelectrolyte chain in the presence of counterions with plausible applications
- General purpose molecular dynamics simulations fully implemented on graphics processing units
- 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
- DL_POLY_2 adaptations for solvation studies
- 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>)
- Collective Mode Mining from Molecular Dynamics Simulations: A Comparative Approach
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