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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.
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Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
PTC Inc. (formerly Parametric Technology Corporation) is an American computer software and services company founded in 1985 and headquartered in Boston, Massachusetts.The company was a pioneer in parametric, associative feature-based, solid computer-aided design (CAD) modeling software in 1988, including an Internet-based product for Product Lifecycle Management (PLM) in 1998.
Stat-Ease released its first version of Design–Expert in 1988. In 1996 the firm released version 5 which was the first version of the software designed for Microsoft Windows. [3] Version 6.0 moved to a full 32-bit architecture and fuller compliance with Windows visual convention and also allowed up to 256 runs for two-level blocked designs. [4]
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Combining mixture and process variables in designs. Rotating 3D plots to visualize response surfaces. Exploring 2D contours with a computer mouse, setting flags along the way to identify coordinates and predict responses. Precisely locating where all specified requirements meet using numerical optimization functions within DOE software.
Molecular design software is notable software for molecular modeling, that provides special support for developing molecular models de novo. In contrast to the usual molecular modeling programs, such as for molecular dynamics and quantum chemistry , such software directly supports the aspects related to constructing molecular models, including: