ARC Software: Difference between revisions
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= Chemistry = | = Chemistry = | ||
* [[Gaussian on ARC | Gaussian 16]] | * [[Gaussian on ARC | Gaussian 16]] - a commercial software package for electronic structure modelling. | ||
* [[ORCA]] - an ab initio quantum chemistry program package that contains modern electronic structure methods. | * [[ORCA]] - an ab initio quantum chemistry program package that contains modern electronic structure methods. | ||
Revision as of 18:28, 1 March 2023
General
For some general consideration for setting up software in your home directory see Managing software on ARC.
Software Management
- Conda and Miniconda
General Tools
Libraries
File Format Libraries
Atmospheric research
Chemistry
- Gaussian 16 - a commercial software package for electronic structure modelling.
- ORCA - an ab initio quantum chemistry program package that contains modern electronic structure methods.
- GROMACS - Classical molecular dynamics simulator.
Computational Fluid Dynamics
- ANSYS - Fluent and CFX - commercial CFD software.
- OpenFOAM - Open-source toolkit for creating CFD applications.
Finite Element Modelling
- ANSYS - ANSYS Fluent - commercial software for finite element-based structural analysis.
- Abaqus - Commercial software for finite element-based analysis.
Geospatial Analysis
Machine Learning
Mathematical Libaries and Applications
- MATLAB - Commercial general-purpose high-level programming environment for linear algebra, statistics, image processing and a wide range of other calculations.
- Mathematica - Commercial general-purpose high-level programming package for both symbolic and numerical calculations.
Microscopy