Jonathan Moore

Hydrodynamic Behavior at the Triple Line of Spreading Liquids and the Divergence Problem

Molecular dynamics simulations of the surface tension of n-hexane, n-decane and n-hexadecane

MCCCS Towhee: a tool for Monte Carlo molecular simulation

Ultrafast Quenching of the Xanthone Triplet by Energy Transfer:  New Insight into the Intersystem Crossing Kinetics

Computer Simulation of Liquids

Calcium phosphates in oral biology and medicine.

Chemical compositions of improved model asphalt systems for molecular simulations

RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes

A Combined Experimental–Computational Investigation of Methane Adsorption and Selectivity in a Series of Isoreticular Zeolitic Imidazolate Frameworks

Pyrolytic Depolymerization of Polyolefins Catalysed by Zirconium‐based UiO‐66 Metal–Organic Frameworks

Force Field Benchmark of Organic Liquids: Density, Enthalpy of Vaporization, Heat Capacities, Surface Tension, Isothermal Compressibility, Volumetric Expansion Coefficient, and Dielectric Constant

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit

Structures and Properties of Self-Assembled Monolayers of Bistable [2]Rotaxanes on Au (111) Surfaces from Molecular Dynamics Simulations Validated with Experiment

Comparison of the AMBER, CHARMM, COMPASS, GROMOS, OPLS, TraPPE and UFF force fields for prediction of vapor–liquid coexistence curves and liquid densities

Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications

GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

Wetting and spreading

Hydroformylation of pyrolysis oils to aldehydes and alcohols from polyolefin waste

Applications of Calorimetry to Nonelectrolyte Solutions

Transferable Potentials for Phase Equilibria. 6. United-Atom Description for Ethers, Glycols, Ketones, and Aldehydes

The ninth industrial fluid properties simulation challenge

Transient rheology of a polyethylene melt under shear

Atomistic-scale insights into the crosslinking of polyethylene induced by peroxides

Nonequilibrium Molecular Dynamics Simulation of the Rheology of Linear and Branched Alkanes

The third industrial fluid properties simulation challenge

Excess enthalpies for (ethane + ethene) at the temperatures (273.15, 298.15, 323.15, 348.15, and 363.15) K and the pressures (5, 7.5, 10, 12.5, and 15) MPa

Lubricant characterization by molecular simulation

The first industrial fluid properties simulation challenge

Rheology of lubricant basestocks: A molecular dynamics study of C30 isomers

The fourth industrial fluid properties simulation challenge