Simcenter Culgi

Engineer better materials with multiscale computational chemistry simulations

Multiscale computational chemistry simulations

Virtual screening of novel materials in an early stage of development is a key enabler of innovation in the chemical and process industries. Simcenter Culgi helps product development and material scientists to design new materials with the desired properties along the complete life cycle from inception, to process development, logistics, and market analysis on a digital platform.

Simcenter Culgi covers all aspects of multiscale simulations in chemistry, crossing relevant length and time scale so that scientists can model all properties related to materials and processes, not only on a macroscopic level but all the way down to the molecular level through chemical interactions.

Simcenter Culgi is used by companies to accelerate materials development in domains such as specialty chemicals, energy storage, pharmaceuticals, personal care, and cosmetics. Examples of applications include: discovering interactions between drug formulations to safely produce medicines; screening of green solvents for chemical manufacturing to improve sustainability; inventing durable polymer membranes for batteries and fuel cells; finding more effective chemical mixtures for oil recovery; improving impact strength of materials for automotive components and designing lightweight and temperature resistant composites and adhesives.

Simcenter Culgi

Virtual screening of novel materials in an early stage of development is a key enabler of innovation in the chemical and process industries. Simcenter Culgi helps product development and material scientists to design new materials with the desired properties along the complete life cycle from inception, to process development, logistics, and market analysis on a digital platform.

Simcenter Culgi covers all aspects of multiscale simulations in chemistry, crossing relevant length and time scale so that scientists can model all properties related to materials and processes, not only on a macroscopic level but all the way down to the molecular level through chemical interactions.

Simcenter Culgi is used by companies to accelerate materials development in domains such as specialty chemicals, energy storage, pharmaceuticals, personal care, and cosmetics. Examples of applications include: discovering interactions between drug formulations to safely produce medicines; screening of green solvents for chemical manufacturing to improve sustainability; inventing durable polymer membranes for batteries and fuel cells; finding more effective chemical mixtures for oil recovery; improving impact strength of materials for automotive components and designing lightweight and temperature resistant composites and adhesives.

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How PETRONAS develops novel computational chemistry methods for chemical enhanced oil recovery (cEOR)

Process of how Petronas designs novel surfactant molecules to improve oil recovery using computational chemistry methods.

Novel computational chemistry methods enhance oil recovery

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