The inside story of the DeepMind team of scientists and engineers who created AlphaFold, an AI system that is recognised as a solution to "protein folding", a grand scientific challenge for more than 50 years.

Find out more:
deepmind.com/alphafold

Protein…

New protocol allows researchers to update names on previously published work

The crystalline solid BaTiS3 (barium titanium sulfide) is terrible at conducting heat, and it turns out that a wayward titanium atom that exists in two places at the same time is to blame.

A new machine learning approach offers important insights into catalysis, a fundamental process that makes it possible to reduce the emission of toxic exhaust gases or produce essential materials like ...

Profs. Daniel Crawford and David Sherrill provide an overview of the Psi4 Project for open source quantum chemistry.

István Ladjánszki talks about BrianQC, and its interface to Psi4

New measurement confirms 2010 finding that proton is smaller than previously thought.

Francesco Evangelista demonstrates how Psi4 can be used together with Jupyter notebooks for teaching, and he introduces some new Jupyter widgets to improve the student experience

David Sherrill provides a tutorial on how to run basic computations using Psi4

A new release of MOPAC2016 includes the INDO/S semiempirical quantum mechanical method, which is parameterized to reproduce excited-state properties at low computational cost. The excited-state prope...

Lori Burns introduces the distributed driver, which will go in the master branch of the codebase after Psi4 1.4 is released. The driver will allow parallel processing of independent tasks.

Advanced metal alloys are essential in key parts of modern life, from cars to satellites, from construction materials to electronics. But creating new alloys for specific uses, with optimized strength, ...

Holger Kruse discusses the improvements to the grid handling in Psi4 1.4, and the available user options

Jeff Schriber introduces the CLIFF force field

The findings may help researchers design "spintronic" devices and novel magnetic materials. A new study illuminates surprising choreography among spinning atoms. In a paper appearing in the journal Nature, researchers from MIT and Harvard University reveal…

Nature - Long atomic strings that are woven together create a structure with symbolic power for adherents of Buddhism.