A database containing many publicly available Gaussian basis sets for quantum chemistry calculations, including literature references. The basis sets can be displayed in input formats suitable for a number of quantum chemistry programs.
Project summary
ESTEST (es-test) is a framework to facilitate the verification and comparison of Electronic Structure codes like Qbox, Quantum Espresso, Siesta, ABINIT, and The Exciting Code. The ESTEST framework consists of three components: automated input/output handling; translation to unified-representation (UR) XML format tools; rich web interface.
We investigate the interaction of intense light with matter: extreme conditions within a medium lead to the generation of remarkable bursts of rainbow light. Intense light can also induce an effective flow in the medium that can be used to create artificial event horizons and study spacetime geometries inspired by general relativity. Answering these questions leads to discoveries at the overlap between laser physics, quantum field theory, general relativity and photonic technologies.
However, if UCF Professor Enrique del Barco's observation can be fully understood and applied, scientists may have the basis to create quantum computers -- which could easily break the most complicated encryption in a matter of hours.
Gabedit is a graphical user interface to computational chemistry packages like Gamess-US, Gaussian, Molcas, Molpro, MPQC, OpenMopac, Orca, PCGamess, Q-Chem and DALTON.
GAMESS-US is a full-featured electronic structure software package with MC-SCF, CC, DFT, and CI wave functions. QM/MM, FMO, solvation, and MD calculations are also possible.