Julian D. Gale

发表

Prediction of novel alloy phases of Al with Sc or Ta

Ante Bilić, Julian D. Gale, Mark A. Gibson, 2015, Scientific Reports.

Computer session on molecular dynamics - Tutorial in Force Field Simulation of Materials with GULP

Julian D. Gale, 2011 .

SIESTA: A Linear-Scaling Method for Density Functional Calculations

Julian D. Gale, J. Gale, 2011 .

Tutorial chemistry texts

John M. Seddon, Julian D. Gale, 2002 .

The structure of hydronium alunite: A first principles study

Julian D. Gale, Karen A. Hudson-Edwards, Kate Wright, 2010 .

Mechanisms of Cd, Cu and Zn uptake in jarosite surfaces: A computer simulation study

Julian D. Gale, Karen A. Hudson-Edwards, Kate Wright, 2008 .

PREFACE: Proceedings of the International Conference on Nanoscience and Nanotechnology (Melbourne, 25-29 February 2008) Proceedings of the International Conference on Nanoscience and Nanotechnology (Melbourne, 25-29 February 2008)

Julian D. Gale, Salvy P. Russo, Michael J. Ford, 2009 .

Simulation of the Thermodynamics of surfaces and interfaces

Julian D. Gale, 2011 .

EPJ Web of Conferences, Vol 30: Experiment and Modelling in Structural NMR.

Julian D. Gale, Pierre-Richard Dahoo, P. Berthault, 2012 .

In situ study of the formation of CdS nanoparticles by small-angle X-ray scattering

C. R. A. Catlow, Julian D. Gale, Scott M. Woodley, 2003 .

First principles calculations using density matrix divide-and-conquer within the SIESTA methodology

Julian D. Gale, Michael J. Ford, B. Cankurtaran, 2008 .

Potential Energy Surfaces

Julian D. Gale, 2011 .

An introduction to molecular heterogeneous catalysis

Robert G. Bell, Dewi W. Lewis, C. R. A. Catlow, 1997 .

Part 1: Using a genetic algorithm and an indirect approach to exclusion zones

Julian D. Gale, Scott M. Woodley, C. Richard, 2004 .

Large Scale Atomistic Simulation with Electrostatics: The Case of Cation Impurity Segregation Along an Edge Dislocation Line

Julian D. Gale, Kate Wright, Feiwu Zhang, 2010, 2010 Sixth IEEE International Conference on e-Science Workshops.

Analytical Free Energy Minimization of Silica Polymorphs

Julian D. Gale, J. Gale, 1998 .

Atomistic Simulations of Ceramic Materials Relevant for Nuclear Waste Management: Cases of Monazlte and Pyrochlore

Piotr M. Kowalski, George Beridze, Dirk Bosbach, 2016 .

Empirical potential derivation for ionic materials

Julian D. Gale, J. Gale, 1996 .

Development of a New Interatomic Potential for the Modeling of Ligand Field Effects

Julian D. Gale, Scott M. Woodley, Peter D. Battle, 2001 .

Molecular dynamics simulations of the interactions of potential foulant molecules and a reverse osmosis membrane

Julian D. Gale, Zak E. Hughes, J. Gale, 2012 .

GULP: A computer program for the symmetry-adapted simulation of solids

Julian D. Gale, J. Gale, 1997 .

Parameterization of a potential function for the Ca2+ −Ne and Ca2+ −N2 interactions using high-level ab initio data

Julian D. Gale, J. Gale, D. Nicholson, 2000 .

Derivation of an accurate force-field for simulating the growth of calcium carbonate from aqueous solution : a new model for the calcite-water interface

David Quigley, P. Mark Rodger, Julian D. Gale, 2010 .

Derivation of an interatomic potential for germanium-and silicon-containing zeolites and its application to the study of the structures of octadecasil, ASU-7, and ASU-9 materials

Julian D. Gale, German Sastre, J. Gale, 2003 .

The Prediction of Inorganic Crystal Framework Structures Using Excluded Regions within a Genetic Algorithm Approach.

Julian D. Gale, C. Richard A. Catlow, Scott M. Woodley, 2004 .

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

Julian D. Gale, Andrew L. Rohl, Craig E. Buckley, 2005 .

The prediction of close packed and porous inorganic crystal structures

C. R. A. Catlow, Julian D. Gale, Scott M. Woodley, 2002 .

An analytical model for the thermal conductivity of silicon nanostructures

Julian D. Gale, Xavier Blase, J. Gale, 2005 .

A computational investigation of the properties of a reverse osmosis membrane

Julian D. Gale, Zak E. Hughes, J. Gale, 2010 .

Dynamical observation of the catalytic activation of methanol in zeolites

Kiyoyuki Terakura, Julian D. Gale, Ivan Stich, 1998 .

A Computational Investigation into the Suitability of Purely Siliceous Zeolites as Reverse Osmosis Membranes

Julian D. Gale, Paolo Raiteri, Zak E. Hughes, 2011 .

An interatomic potential model for carbonates allowing for polarization effects

Martin T. Dove, Julian D. Gale, Randall T. Cygan, 2003 .

Thermodynamics of catalytic formation of dimethyl ether from methanol in acidic zeolites.

Kiyoyuki Terakura, Julian D. Gale, Ivan Stich, 2001, Chemistry.

Quantum mechanical vs. empirical potential modeling of uranium dioxide (UO2) surfaces: (111), (110), and (100)

Julian D. Gale, Andrew L. Rohl, Rodney C. Ewing, 2006 .

Calculation of Attachment Energies and Relative Volume Growth Rates As an Aid to Polymorph Prediction

Julian D. Gale, C. Richard A. Catlow, Sarah L. Price, 2005 .

Geometry and diameter dependence of the electronic and physical properties of GaN nanowires from first principles

Julian D. Gale, Damien J. Carter, D. J. Carter, 2008 .

Pristine carbon nanotubes as non-metal electrocatalysts for oxygen evolution reaction of water splitting

Julian D. Gale, Chang Liu, Pei Kang Shen, 2015 .

GULP: Capabilities and prospects

Julian D. Gale, J. Gale, 2005 .

Advanced Membrane Technologies for Water Treatment

Bradley P. Ladewig, Lingxue Kong, Lianzhou Wang, 2010 .

Computer simulation of defects and oxygen transport in yttria-stabilized zirconia

Subhash C. Singhal, Julian D. Gale, William J. Weber, 2006 .

The General Utility Lattice Program (GULP)

Julian D. Gale, Andrew L. Rohl, A. Rohl, 2003 .

Modelling of structure and reactivity in zeolites

Robert G. Bell, Dewi W. Lewis, C. R. A. Catlow, 1995 .

A Quantum Mechanically Derived Force Field To Predict CO2 Adsorption on Calcite {10.4} in an Aqueous Environment

Julian D. Gale, Evren Ataman, Martin Andersson, 2017 .

Theoretical Calculations on Silica Frameworks and Their Correlation with Experiment

Julian D. Gale, Anthony K. Cheetham, Neil J. Henson, 1994 .

Is the Calcite–Water Interface Understood? Direct Comparisons of Molecular Dynamics Simulations with Specular X-ray Reflectivity Data

Julian D. Gale, Paul Fenter, Paolo Raiteri, 2013 .

Structure and Dynamics of Water at Step Edges on the Calcite {101̅4} Surface

Julian D. Gale, Marco De La Pierre, Paolo Raiteri, 2016 .

Simulation of low index rutile surfaces with a transferable variable-charge Ti–O interatomic potential and comparison with ab initio results

Julian D. Gale, Nicholas M. Harrison, Varghese Swamy, 2002 .

Atomistic modeling and experimental studies of radiation damage in monazite-type LaPO4 ceramics

Piotr M. Kowalski, Julian D. Gale, Guido Deissmann, 2017 .