The Materials Studio modeling environment supports predictions and investigations of materials' structure-property relationships. The modeling environment includes solution methods for quantum, atomistic, mesoscale, and ...

ABINIT is a package whose main program allows one to find the total energy, charge density and electronic structure of systems made of electrons and nuclei (molecules and periodic solids) within Density Functional Theory ...

"The Engineering Virtual Organization for CyberDesign (EVOCD, https://icme.hpc.msstate.edu) is dedicated to the accumulation of the “intellectual capital” pertaining to ICME. In fact, it is the organization’s capital that ...

With simulation-based weld quality and residual stress engineering, you can: Check if the weld will perform as well as the parent material and will not affect the ability of the parent material to perform as stated in its ...

Atomistix ToolKit (ATK) is a software package that offers unique capabilities for simulating nanostructures on the atomic scale. Users can work with either the Virtual NanoLab GUI or using Python scripts. 

"The computer program atompaw generates projector and basis functions which are needed for performing electronic structure calculations based on the Projector Augmented Wave (PAW) method. The program is applicable to ...

"GAMESS-UK is the general purpose ab initio molecular electronic structure program for performing SCF-, DFT- and MCSCF-gradient calculations, together with a variety of techniques for post Hartree Fock calculations. More ...

The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.

CADPAC, the Cambridge Analytic Derivatives Package, is a suite of programs for ab initio computational chemistry calculations. *This software is no longer supported.*

ABAQUS sold as part of the SIMULIA package. SIMULIA delivers a scalable suite of unified analysis products that allow all users, regardless of their simulation expertise or domain focus, to collaborate and seamlessly share ...