DSpace at My University: Recent submissions
Now showing items 201-220 of 445
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SciPy
SciPy is a Python-based ecosystem of open-source software for mathematics, science, and engineering. Core packages include NumPy for arrays, the SciPy core scientific libraries, the MatPlotLib 2D visualization tool, the ... -
Vienna Ab-Initio Simulation Package (VASP)
The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling, e.g. electronic structure calculations and quantum-mechanical molecular dynamics, from first principles. VASP ... -
LAMMPS Molecular Dynamics Simulator
LAMMPS is a classical molecular dynamics code, and an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. LAMMPS has potentials for solid-state materials (metals, semiconductors) and soft matter ... -
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 ... -
GAMESS-UK
"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 ... -
ANSYS
Finite element analysis software for structural physics that can simulate static, dynamic and heat transfer problems. ANSYS now markets a variety of software programs that serve simulation and modeling needs. -
GAMESS
"GAMESS is a program for ab initio molecular quantum chemistry. Briefly, GAMESS can compute SCF wavefunctions ranging from RHF, ROHF, UHF, GVB, and MCSCF. Correlation corrections to these SCF wavefunctions include Configuration ... -
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 ... -
OOF: Finite Element Analysis of Microstructures
OOF is designed to help materials scientists calculate macroscopic properties from images of real or simulated microstructures. It reads an image, assigns material properties to features in the image, and conducts virtual ... -
Gaussian
"Gaussian 09 is the latest version of the Gaussian® series of electronic structure programs, used by chemists, chemical engineers, biochemists, physicists and other scientists worldwide. Starting from the fundamental laws ... -
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 ... -
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 ... -
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 ... -
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], ... -
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 ... -
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. -
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, ... -
Flow-3D
FLOW-3D is a powerful and highly-accurate CFD software that facilitates the simulation and analysis of many physical flow processes. -
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 ... -
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 ...