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Free open source: Orac download page: NAMD + VMD: Yes Yes Yes Yes No Yes I Yes Yes Fast, parallel MD, CUDA Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods
This is a list of software used to simulate the material and energy balances of chemical process plants. Applications for this include design studies, engineering studies, design audits, debottlenecking studies, control system check-out, process simulation, dynamic simulation, operator training simulators, pipeline management systems, production management systems, digital twins.
It is intended to be a feature-based parametric modeler with a modular software architecture, which makes it easy to provide additional functionality without modifying the core system. As with many modern 3D CAD modelers, FreeCAD has a 2D component to facilitate 3D-to-2D drawing conversion.
A process flow diagram (PFD) is a diagram commonly used in chemical and process engineering to indicate the general flow of plant processes and equipment. The PFD displays the relationship between major equipment of a plant facility and does not show minor details such as piping details and designations.
Quantum chemistry computer programs are used in computational chemistry to implement the methods of quantum chemistry. Most include the Hartree–Fock (HF) and some post-Hartree–Fock methods. They may also include density functional theory (DFT), molecular mechanics or semi-empirical quantum chemistry methods .
The issuance of a drawing from the engineering/design activity to the production activity. In other words, the event when a draft becomes a completed, official document. A stamp on the drawing saying "ISSUED" documents that RTP has occurred. RTV: room-temperature vulcanizing; return to vendor: 1. RTV sealants, a way to seal joints. 2.
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A computer simulation of high velocity air flow around the Space Shuttle during re-entry A simulation of the Hyper-X scramjet vehicle in operation at Mach-7. The fundamental basis of almost all CFD problems is the Navier–Stokes equations, which define many single-phase (gas or liquid, but not both) fluid flows.