Qbox is an open-source software package for atomic-scale simulations of molecules, liquids and solids. It implements first principles (or ab initio) molecular...
8 KB (679 words) - 01:56, 11 December 2024
many-body perturbation theory) and participation in the development of the Qbox code (ab initio molecular dynamics) led by Francois Gygi at University of...
13 KB (1,039 words) - 08:57, 7 June 2025
range. Autocue have since introduced an IP-based prompting system, QMaster/QBox, which allows prompting over a network over any distance. "Companies House...
4 KB (557 words) - 18:01, 26 June 2023
com. Archived from the original (PDF) on 2020-10-21. - TMS5220 datasheet Video - Demonstration of TMS5220 via emulation and demo of QBOX Pro software....
15 KB (1,626 words) - 01:14, 7 June 2025
that Blue Gene/L achieved 207.3 TFLOPS on a quantum chemical application (Qbox). At Supercomputing 2006, Blue Gene/L was awarded the winning prize in all...
51 KB (5,342 words) - 14:28, 29 May 2025
Functional deMon2k CP2K Dalton NWChem Octopus pw-teleman library PARSEC Qbox/Qb@ll Q-Chem Spartan TeraChem TURBOMOLE YAMBO code ORCA Jaguar GPAW ONETEP...
16 KB (2,496 words) - 13:43, 2 June 2025
PySCF Free, BSD Python Yes Yes With plugin, GPU4PySCF Unknown Unknown Qbox Free, GPL C++ Yes Yes No Unknown Unknown Q-Chem Academic, commercial Fortran...
27 KB (512 words) - 17:01, 5 June 2025