Browsing Code Catalog by Title
Now showing items 26-45 of 72
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deMon
deMon (density of Montréal) is a software package for density functional theory (DFT) calculations. It uses the linear combination of Gaussian-type orbital (LCGTO) approach for the self-consistent solution of the Kohn-Sham ... -
DICTRA
DICTRA is an add-on module to Thermo-Calc for the accurate simulation of diffusion controlled reactions in multicomponent alloy systems. DICTRA is based on the numerical solution of the multicomponent diffusion equations ... -
Dislostructures
Dislocation.f90 is a short program that generates edge/screw dislocations in different different crystal structures, FCC, HCP and BCC. The dislocations can be introduced in the form of a periodic array or a single infinite ... -
DL Visualize
The current release features an interface to the ab-initio periodic Hartree-Fock/DFT software package, CRYSTAL, the EXAFS analysis program DL_EXCURV, GULP v3 and the SXRD package ROD. DLV provides the ability to construct ... -
DMol
DMol3 is a modeling program, and comes as part of Simulia's Materials Studio, that uses density functional theory (DFT) to simulate chemical processes and predict properties of materials both rapidly and accurately. Because ... -
DREAM.3D
DREAM3D allows users to reconstruct and analyze 3D microstructures from a variety of sources including EBSD data (TSL & Oxford Instruments) and synthetically generated sources. In addition, the program allows the user to ... -
DYNAMO
DYNAMO is commonly used for MEAM (modified embedded atom method) interatomic potential generation. Alternative to LAMMPS. -
EKKcapcast
EKK�s Finite Element Method (FEM) based EKKcapcast software includes Solidification, Thermal , Fluid flow, Stress and Porosity analysis tools which can accurately identify your casting defects and help you optimize your ... -
ELK
ELK is an all-electron full-potential linearised augmented-plane wave (FP-LAPW) code with many advanced features. Written originally at Karl-Franzens-Universität Graz as a milestone of the EXCITING EU Research and Training ... -
Elmer
Elmer is an open source multi-physics FEA code capable of complex coupled simulations. There are several examples including fluid-structure interactions, magnetic induction, Soret thermal-induced diffusion, thermal buoyancy ... -
Engineering Virtual Organization for CyberDesign
"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 ... -
exciting
exciting is a full-potential all-electron density-functional-theory package implementing the families of linearized augmented planewave methods. It can be applied to all kinds of materials, irrespective of the atomic species ... -
FactSage
FactSage©, one of the largest fully integrated database computing systems in chemical thermodynamics in the world, was introduced in 2001 and is the fusion of the FACT-Win/F*A*C*T and ChemSage/SOLGASMIX thermochemical packages. -
FHI-aims
"FHI-aims is an accurate all-electron, full-potential electronic structure code package for computational materials science, offering: Density functional theory (LDA, GGAs) for isolated molecules and periodic systems ... -
fhi98PP
"The package fhi98PP [1] in the present update of 27-06-03 allows one to: Generate norm-conserving pseudopotentials of the Hammann [2] and Troullier-Martins [3] types, employing common parameterizations of the local-density ... -
FiPy: A Finite Volume PDE Solver Using Python
The FiPy framework includes terms for transient diffusion, convection and standard sources, enabling the solution of arbitrary combinations of coupled elliptic, hyperbolic and parabolic PDEs. Currently implemented models ... -
FLEUR
"This is the homepage of FLEUR, a feature-full, freely available FLAPW (full potential linearized augmented planewave) code, based on density-functional theory. The FLAPW-Method (Full Potential Linearized Augmented Plane ... -
Flow-3D
FLOW-3D is a powerful and highly-accurate CFD software that facilitates the simulation and analysis of many physical flow processes. -
FORGE NxT
This software can simulate hot, warm, and cold forging of both 3D parts and 2D geometry parts, using different process settings and/or different die designs. Accurate predictions are then made for the dies (wear, damage, ... -
FPLO
"The FPLO package is a full-potential local-orbital minimum-basis code [1] [2] to solve the Kohn-Sham equations on a regular lattice [6]. The situation of a chemically disordered structure is covered by a CPA solver [3], ...