William A. Goddard

UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations

DREIDING: a generic force field for molecular simulations

ReaxFF:  A Reactive Force Field for Hydrocarbons

Charge equilibration for molecular dynamics simulations

Starburst Dendrimers: Molecular‐Level Control of Size, Shape, Surface Chemistry, Topology, and Flexibility from Atoms to Macroscopic Matter

Silicon nanowires as efficient thermoelectric materials

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

Ultrafine jagged platinum nanowires enable ultrahigh mass activity for the oxygen reduction reaction

Catalysis Research of Relevance to Carbon Management:  Progress, Challenges, and Opportunities

High-performance bifunctional porous non-noble metal phosphide catalyst for overall water splitting

Thermal conductivity of carbon nanotubes

Accurate First Principles Calculation of Molecular Charge Distributions and Solvation Energies from Ab Initio Quantum Mechanics and Continuum Dielectric Theory