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Machine learning takes materials modeling into new era - Helmholtz-Zentrum Dresden-Rossendorf, HZDR - Vimarsana News

Machine learning takes materials modeling into new era - Helmholtz-Zentrum Dresden-Rossendorf, HZDR

The arrangement of electrons in matter, known as the electronic structure, plays a crucial role in fundamental but also applied research such as drug design and energy storage. However, the lack of a simulation technique that offers both high fidelity and scalability across different time and length scales has long been a roadblock for the progress of these technologies. Researchers from the Center for Advanced Systems Understanding (CASUS) at the Helmholtz-Zentrum Dresden-Rossendorf (HZDR) in Görlitz, Germany, and Sandia National Laboratories in Albuquerque, New Mexico, USA, have now pioneer...

Source: hzdr.de
Imaging Electron Orbital Signatures in Two Different Transition-Metal Atoms - Vimarsana News

Imaging Electron Orbital Signatures in Two Different Transition-Metal Atoms

No one will ever be able to see a purely mathematical construct such as a perfect sphere.

Source: azom.com
Seeing electron orbital signatures - Vimarsana News

Seeing electron orbital signatures

Austin TX (SPX) May 16, 2023 - No one will ever be able to see a purely mathematical construct such as a perfect sphere. But now, scientists using supercomputer simulations and atomic resolution microscopes have imaged the signat

Seeing Electron Orbital Signatures - Vimarsana News

Seeing Electron Orbital Signatures

Supercomputing simulations on TACC's Stampede2 system spot electronic differences in adjacent transition-metal atoms

Source: utexas.edu
A New Quantum Approach To Solve Electronic Structures Of Complex Materials - Vimarsana News

A New Quantum Approach To Solve Electronic Structures Of Complex Materials

Researchers at Argonne explore the possibility of solving the electronic structures of complex molecules using a quantum computer.