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A molecular dynamics study of liquid drops
We report molecular dynamics studies of small liquid drops (41–2004 molecules) in which the atoms interact with a Lennard‐Jones intermolecular potential cutoff at 2.5σ and shifted by the potential atExpand
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A new analysis method for the determination of the pore size distribution of porous carbons from nitrogen adsorption measurements
Abstract A new analysis method has been developed for the determination of the pore size distribution of porous carbons from nitrogen adsorption measurements. The method is based on a molecular modelExpand
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The pressure tensor at the planar surface of a liquid
The planar surface of a liquid of molecules with truncated Lennard-Jones potentials has been simulated at two temperatures. The normal component of the pressure tensor, p N(z), is shown to be aExpand
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UKESM1: Description and Evaluation of the U.K. Earth System Model
We document the development of the first version of the United Kingdom Earth System Model UKESM1. The model represents a major advance on its predecessor HadGEM2‐ES, with enhancements to allExpand
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The Low‐Resolution Version of HadGEM3 GC3.1: Development and Evaluation for Global Climate
Abstract A new climate model, HadGEM3 N96ORCA1, is presented that is part of the GC3.1 configuration of HadGEM3. N96ORCA1 has a horizontal resolution of ~135 km in the atmosphere and 1° in the oceanExpand
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Capillary Condensation: A Molecular Simulation Study
Abstract The capillary condensation of a Lennard-Jones fluid confined to an adsorbing slit-like pore is studied using the grand canonical Monte Carlo method of molecular simulation for several valuesExpand
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ESMValTool (v1.0) – a community diagnostic and performance metrics tool for routine evaluation of Earth system models in CMIP
TLDR
A community diagnostics and performance metrics tool for Earth system models (ESMs) has been developed that allows for routine comparison of single or multiple models, either against predecessor versions or against observations. Expand
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Molecular simulation of methane and butane in silicalite
Molecular simulation studies of methane in silicalite at room temperature are reported. Adsorption isotherms and diffusion coefficients have been calculated for a range of pressures. At low pressuresExpand
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Fluid behaviour in narrow pores
The behaviour of a Lennard-Jones fluid confined within a straight cylindrical pore has been studied using mean-field theory. The fluid potential parameters were chosen to model argon, and a range ofExpand
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The pressure tensor in an inhomogeneous fluid of non-spherical molecules
A general expression for the pressure tensor in an inhomogeneous fluid composed of molecules interacting via non-central, pairwise additive forces is derived. Both planar and spherical surfaces areExpand
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