It focuses on constructing models and identifying approaches to test either theoretical descriptions or experimental observations of materials phenomena on a computer ... literate in computational ...

As of today, we have presented more than 200 applications. We also provide an environment called MateriApps LIVE! on USB memory, enabling users to try out materials science simulations easily on a ...

At Argonne National Laboratory, scientists have leveraged the Frontier supercomputer to create an unprecedented simulation of ...

Researchers from Institute of Industrial Science, The University of Tokyo used computer simulations to determine the mechanisms that control the temperature dependence of molecular dynamics in a ...

In a new report now featured on the cover page of and published in Science Advances, Hans Hon Sang Chan and a research team in materials ... chemistry simulations on a quantum computer, Science ...

Applications in Nanotechnology and Materials Science Molecular Dynamics Simulations have wide-ranging applications in nanotechnology and materials science. They are instrumental in: Recent ...