The CP2K open-source package is among the top three most widely used research software suites worldwide for simulating the ...

The global market for 2D materials — already estimated at several billion dollars annually — is growing at a 4 percent rate. This is explained by the importance of these newly synthesized materials, ...

Northwestern Engineering researchers have developed a new framework using machine learning that improves the accuracy of interatomic potentials — the guiding rules describing how atoms interact — in ...

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 ...

While the concept of quantum computing has been discussed for more than 40 years, only recently have experiments indicated that a practical quantum computer may be possible. Recent developments in ...