The general utility lattice program (GULP)

QR Code

The general utility lattice program (GULP)

The General Utility Lattice Program (gulp) has been extended to include the ability to simulate polymers and surfaces, as well as adding many other new features, and the current status of the program is fully documented. Both the background theory is described, as well as providing a concise review...

Full description

Bibliographic Details
Main Authors:	Gale, Julian, Rohl, Andrew
Format:	Journal Article
Published:	Taylor & Francis 2003
Online Access:	http://hdl.handle.net/20.500.11937/2727

Similar Items

GULP: Capabilities and prospects
by: Gale, Julian
Published: (2005)

Computer session on molecular dynamics: Tutorial in force field simulation of materials with GULP
by: Gale, Julian
Published: (2011)

Lattice dynamics from force-fields as a technique for mineral physics
by: Gale, Julian, et al.
Published: (2010)

An efficient technique for the prediction of solvent-dependent morphology: the COSMIC method
by: Gale, Julian, et al.
Published: (2007)

Benchmarking Calculated Lattice Parameters and Energies of Molecular Crystals Using van der Waals Density Functionals
by: Carter, Damien, et al.
Published: (2014)

Ab Initio Simulations of the (101) Surfaces of Potassium Dihydrogenphosphate (KDP)
by: Carter, Damien, et al.
Published: (2006)

An ab initio study of the influence of crystal packing on the host guest interactions of calix[4]arene crystal structures
by: Ogden, Mark, et al.
Published: (2001)

An ab initio study of the influence of crystal packing on the host-guest interactions of calix[4]arene crystal structures
by: Ogden, Mark, et al.
Published: (2001)

Static lattice energy calculations of mixing and ordering enthalpy in binary carbonate solid solutions
by: Vinograd, V., et al.
Published: (2006)

Can Point Defects in Surfaces in Solution be Atomically Resolved by Atomic Force Microscopy?
by: Reischl, Bernhard, et al.
Published: (2016)

Atomistic Simulation of Atomic Force Microscopy Imaging of Hydration Layers on Calcite, Dolomite, and Magnesite Surfaces
by: Reischl, Bernhard, et al.
Published: (2019)

Determination of the structure of y-alumina from interatomic potential and first principles calculations: The requirement of significant numbers of nonspinel positions to achieve an accurate structural model
by: Paglia, Gianluca, et al.
Published: (2005)

Behaviour of the extended Toda lattice
by: Wattis, Jonathan A.D., et al.
Published: (2015)

Behaviour of the extended Volterra lattice
by: Pickering, Andrew, et al.
Published: (2013)

Calculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction
by: Coombes, D., et al.
Published: (2005)

How to obtain lattices from (f,σ,δ)-codes via a generalization of Construction A
by: Pumpluen, Susanne
Published: (2018)

The Combinatorics of Lattice Polytopes
by: Hall, Thomas
Published: (2024)

Subsolidus phase relations in Ca2Mo2O8?NaEuMo2O8-powellite solid solution predicted from static lattice energy calculations and Monte Carlo simulations
by: Vinograd, V., et al.
Published: (2008)

Incorporation of impurity anions into DSP: insights into structure and stability from computer modelling
by: Lowe, Jennifer, et al.
Published: (2006)

Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)
by: Skomurski, F., et al.
Published: (2006)

A general forcefield for accurate phonon properties of metal-organic frameworks
by: Bristow, J., et al.
Published: (2016)

Cold atoms in optical lattices
by: Scott, Robin George
Published: (2003)

Nonlinear rotations on a lattice
by: Wan Rozali, Wan Nur Fairuz Alwani, et al.
Published: (2018)

Introduction to lattice statistical mechanics
by: Ganikhodjaev, Nasir, et al.
Published: (2016)

On Jacobi forms of lattice index
by: Mocanu, Andreea
Published: (2019)

Quantum search on graphene lattices
by: Foulger, Ian, et al.
Published: (2014)

Lattice models with competing interactions
by: Ganikhodjaev, Nasir, et al.
Published: (2011)

Improved vortex lattice method
by: Sulaeman, Erwin
Published: (2011)

Improved doublet lattice method
by: Sulaeman, Erwin
Published: (2011)

Orientation-dependent pinning and homoclinic snaking on a planar lattice
by: Dean, Andrew David, et al.
Published: (2015)

Convergence of Martingales in Orlicz–Kantorovich Lattice
by: Ganiev, Inomjon
Published: (2016)

Rock-paper-scissors lattice model
by: Ganikhodjaev, Nasir
Published: (2019)

Rock-Paper-Scissors Lattice Model
by: Ganikhodjaev, Nasir, et al.
Published: (2020)

The boundary volume of a lattice polytope
by: Hegedüs, Gábor, et al.
Published: (2011)

Numerical studies of quantum lattice systems
by: Michailidis, Alexios
Published: (2017)

Lattice models with interactions on Caylay tree
by: Mukhamedov, Farrukh
Published: (2010)

Lattice gas and thermodynamics in models of heredity
by: Ganikhodjaev, Nasir
Published: (2012)

Lattice models of statistical mechanics and their applications
by: Ganikhodjaev, Nasir
Published: (2011)

Phase diagrams of multicomponent lattice models
by: Ganikhodjaev, Nasir, et al.
Published: (2006)

Lattice gas and thermodynamics in models of heredity
by: Ganikhodjaev, Nasir
Published: (2011)

Cannot write session to /tmp/vufind_sessions/sess_9r81hf5bges2cjjc94tfq26phr