F. Mota

LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales

Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons

Ultrahigh-power micrometre-sized supercapacitors based on onion-like carbon

The General Utility Lattice Program (GULP)

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons

A two-temperature model of radiation damage in α-quartz

Recent advances in graphene based polymer composites

Subjecting a graphene monolayer to tension and compression

Molecular dynamics study of structure transformation and H effects in irradiated silica

Atomistic simulations of threshold displacement energies in SiO2

Hydrogen role on the properties of amorphous silicon nitride