Reactive force fields have enabled an atomic level description of a wide range of
phenomena, from chemistry at extreme conditions to the operation of electrochemical …

The macroscopic properties of materials that we observe and exploit in engineering
application result from complex interactions between physics at multiple length and time …

Interdependence across time and length scales is common in biology, where atomic
interactions can impact larger-scale phenomenon. Such dependence is especially true for a …

Sustainable development is a key challenge for contemporary human societies; failure to
achieve sustainability could threaten human survival. In this review article, we illustrate how …

In recent years, modeling and simulation of materials have become indispensable to
complement experiments in materials design. High‐throughput simulations increasingly aid …

Despite significant achievements in the understanding and treatment of cancer, it remains a
major burden. Traditional therapeutic approaches based on the 'one-size-fits-all'paradigm …

In this paper, a computational atomistic-continuum multiscale framework is developed based
on the machine learning (ML) architecture to capture the nonlinear behavior of nano …

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML)
framework leveraging Gaussian processes (GP) to fuse atomistic computational model …

Accurate crystal plasticity models that faithfully capture the behavior of single crystals under
a wide range of loading conditions, such as loading direction, strain rate, and temperature …

In the present report some basic issues of and some of the modeling strategies used for
studying static and quasistatic problems in continuum micromechanics of materials are …