The General Utility Lattice Program (<scp>GULP</scp>)

DOI10.1080/0892702031000104887zbMath1047.81583OpenAlexW2057502998WikidataQ57619120 ScholiaQ57619120MaRDI QIDQ4810884

Julian D. Gale, Andrew L. Rohl

Publication date: 17 August 2004

Published in: Molecular Simulation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1080/0892702031000104887

Mathematics Subject Classification ID

Related Items (9)

Non-equilibrium molecular dynamics study of thermal energy transport in Au-SAM-Au junctions ⋮ Pauling's rules guided Monte Carlo search (PAMCARS): a shortcut of predicting inorganic crystal structures ⋮ Improvements on non-equilibrium and transport Green function techniques: the next-generation Transiesta ⋮ Unnamed Item ⋮ Entropic Trust Region for Densest Crystallographic Symmetry Group Packings ⋮ \texttt{XtalOpt}: an open-source evolutionary algorithm for crystal structure prediction ⋮ An anisotropic full Brillouin zone model for the three dimensional phonon Boltzmann transport equation ⋮ A novel atomistic approach to determine strain-gradient elasticity constants: tabulation and comparison for various metals, semiconductors, silica, polymers and the (ir)relevance for nanotechnologies ⋮ Systematic derivation of angular-averaged Ewald potential

Uses Software

• AMBER
• GULP
• CHARMM
• DL_POLY
• ReaxFF

Cites Work

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• On the Stability of Certain Heteropolar Crystals
• DL_POLY: Application to molecular simulation
• Error estimates for the fast multipole method. I. The two-dimensional case
• A Rapidly Convergent Descent Method for Minimization
• Parameter Selection for Modified Newton Methods for Function Minimization
• A fast algorithm for particle simulations

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