CAE/CFD Automation, CFD, FEA, Process Modeling, Reservoir Simulation, Molecular Modeling

Molecular Modeling Software

Culgi licensing is tailor-made for each customer to give cost-effective and flexible options. We offer different commercial license types for industrial or academic partners, for individual or network use, for long or short time. Our Free Trial License allows new users to test the Culgi software and to make the best decision for their research.

The Culgi is a general purpose modelling platform including all relevant chemical modelling tools from molecular representation to continuum level.  Don Computing has the exclusive distributorship deal to distribute in ANZ

molecular modeling don computing

molecular modeling don computing

Culgi can manage large databases of chemical components with relevance in the oil industry for: annotation with chemical structures/chemical informatics /data mining.
fig_cluster
Using Culgi to model and simulate asphaltene molecular aggregation may avoid: Accumulation in separators and in pipelines/Adhesion to hot surfaces in refineries/ Equipment fouling/ Pore space blocking

Snapshot of a simulation box of oil/brine/ surfactant interfacial systems up to the specified salinity
fig_box_surfactant

Snapshot of cut through simulation box of asphaltene aggregation in solution:

fig_box_aggregation

Culgi programs help designing formulations for emulsions for their optimal use in:
Enhanced oil recovery/ Emulsion breaking/ Petroleum transportation/ Re-activation of clogged wells
A comprehensive molecular representation of petroleum will lead to increased oil production, cheaper and cleaner transportation and efficient refining processes. New computer aided technologies based on rigorous chemistry and thermodynamics are needed to improve the refining processes and to complete the current lumped models.
fig_box_lumped

 

fig_contact

 

Learn more about all of our licensing options below and contact us for any additional information or purchasing offer.

Please see the type of license here.

See capabilities of the molecular modeling software here.

See list of publications using the code here.

If you need any further information and assistance, please fill the form below and we will be in touch shortly:

–test start

Culgi consists of a suite of modeling and simulation algorithms from both thermodynamics and informatics, within a unique common interface. Our molecular modeling library includes all well-established simulation methodologies, covering a broad range of length and time scales:

• Chemical informatics with wide range of molecular descriptors

• Chemical engineering thermodynamics (UNIFAC and COSMO)

• Engines for quantitative structure-activity relationships (QSAR)

• Dynamic self-consistent field methods (DDFT)

• Group contribution methods

• Particle based simulations (MD, MC, DPD), with automated parameter assignment

• Quantum chemistry interface (NWChem, MOPAC)

• Automated fragmentation / parameterization for library design and screening

True multiscaling is enabled through novel hybrid modeling algorithms and versatile mapping tools. All these modeling tools can be connected and distributed over workflows.

Current release: Culgi 9.0.0.

Platform Support: 32-bit Windows 7, Windows Vista and Windows XP Professional SP3, and 64-bit Windows 7 and Windows 8, UNIX and Linux.

Performance: Culgi algorithms are designed to run on high-performance parallel supercomputers as well as on conventional workstation clusters.

Manuals: Please contact admin@doncomputing.com

Please see the type of license here.

–test end

Name (required)

Phone (required)

Email (required)

Describe the problem you want to discuss about (required)

Please note what you see below
captcha

Please type what you see left, no gap please (required)


Hit Counter provided by dental implants orange county