2026 will be a transformative year in this area — one where force fields redefine the boundaries of atomistic simulation, making previously unthinkable modeling and discoveries routine. With workflows ...

There are many challenges in the development of a modern semiconductor chip, from front-end architecture simulation to final signoff. Volume manufacturing has its own set of challenges, while silicon ...

Yan Wang, Ph.D., joined the Department of Mechanical Engineering at the University of Nevada, Reno as an assistant professor in 2016. He received his Ph.D. in mechanical engineering from Purdue ...

The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the behavior of atoms and molecules. Among other applications, CP2K plays an ...

A collaboration team of researchers from the Nano Life Science Institute (WPI-NanoLSI), Kanazawa University, the Institute of Transformative Bio-Molecules (WPI-ITbM), Graduate School of Science at ...

Computational modeling and simulation of nanomaterials strongly complement physical experiments. They enable the prediction of characteristics and processes under conditions difficult to replicate or ...

CP2K is a widely used open-source package for atomic and molecular simulations, including AI training data. A new overview outlines its methods and scope. The CP2K package contains apps and algorithms ...