For many decades, experimental solid mechanics has played a crucial role in characterizing
and understanding the mechanical properties of natural and novel artificial materials …

The exceptional physical properties and unique layered structure of two-dimensional (2D)
materials have made this class of materials great candidates for applications in electronics …

Molecular modeling and simulation are invaluable tools for nanoscience that predict
mechanical, physicochemical, and thermodynamic properties of nanomaterials and provide …

First principles density functional theory based calculations have been performed to
investigate the strain and temperature induced tunability of the thermoelectric properties of …

Complex models in physics, biology, economics, and engineering are often ill-determined or
sloppy: their multiple parameters can vary over wide ranges without significant changes in …

The mechanical and thermal properties of transition metal dichalcogenides (TMDs) are
directly relevant to their applications in electronics, thermoelectric devices, and heat …

Abstract Machine Learned Interatomic Potentials (MLIPs) combine the predictive power of
Density Functional Theory (DFT) with the speed and scaling of interatomic potentials …

This investigation presents a generally applicable framework for parameterizing interatomic
potentials to accurately capture large deformation pathways. It incorporates a multi-objective …

We present a systematic methodology, built within the Open Knowledgebase of Interatomic
Models (OpenKIM) framework (https://openkim. org), for quantifying properties of grain …

A novel torus-based surface parametrization is proposed and used to evaluate the bending
and twisting rigidities of 2D materials of arbitrary symmetries. A generalized constitutive …