NWChem: Open Source High-Performance Computational Chemistry - nwchemgit/nwchem ...

The Hessian used in the MCSCF optimization is by default level shifted by 0.1 until the orbital gradient norm falls below 0.01, at which point the level shift is reduced to zero. The initial value of ...

The latest report from IDTechEx, “Autonomous Vehicle Market 2025-2045: Robotaxis, Autonomous Cars, and Sensors,” highlights a key transition in self-driving technology—the move from Level 2 ...

This paper describes a novel distributed data parallel self consistent field (SCF) algorithm and the distributed data coupled perturbed Hartree-Fock (CPHF) step of an analytic Hessian algorithm. The ...

Polar code has lower coding and decoding requirements, linear complexity, and superior channel performance, so it is proven to be close to the Shannon limit for 5G communication. Successive ...

Over the last two years, a series of updates to Google Search amount to a dramatic upheaval to the Internet's most powerful tool, complete with an unprecedented AI feature.

Most quantum algorithms that give an exponential speedup over classical algorithms exploit the Fourier transform in some way. In Shor’s algorithm, sampling from the quantum Fourier spectrum is used to ...

Small Cell Forum, the global membership organization committed to supporting agile, low-cost mobile infrastructure through small cells, today released part two in its Neutral Host Requirements series ...