It has long been known that classical Erdös-Renyi random graphs are rather limited in the types of degree distributions they can produce. The degree of any given node follows a binomial distribution, which goes over into a Poisson distribution in the sparse limit. In contrast, many real-world networks possess power law degree sequences that would…
Mastering J2EE can be daunting, with an ever-growing list of technologies and acronyms. The Java Naming and Directory Interface (JNDI) has been at the core of the Java 2 Platform, Enterprise Edition (J2EE) from its inception, but it is often underutilized by novice J2EE developers. This article will help demystify the role of JNDI in J2EE applications and show how it can help decouple your application from the details of deployment.
NWChem is an electronic structure package that features MC-SCF, MPn, CC, CI, and DFT methods. Properties, solvation models, QM/MM, and MD simulations are also possible.
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.
COLUMBUS is a collection of programs for high-level ab initio molecular electronic structure calculations. The programs are designed primarily for extended multi-reference (MR) calculations on electronic ground and excited states of atoms and molecules.