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Material Modelling

Subcategories of "Software"  

DMACRYS 2.08

Energy minimization package to simulate rigid molecules with multipoles

DMACRYS models crystals of rigid molecules, allowing lattice energy minimization and the calculation of second derivative properties.

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GUESS 2.0

Gaussians used for Embedded System Studies

GUESS provides an embedded cluster approach for studies of defects and defect processes in insulators.

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Zacros

Kinetic Monte Carlo package for simulating molecular phenomena on catalytic surfaces

Zacros 1.02 is a Kinetic Monte Carlo software package written in Fortran 2003, for simulating molecular phenomena on catalytic surfaces.-

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Zacros (30 day commercial evaluation)

Kinetic Monte Carlo package for simulating molecular phenomena on catalytic surfaces

Zacros 1.02 is a Kinetic Monte Carlo software package written in Fortran 2003, for simulating molecular phenomena on catalytic surfaces.-

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