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UNITS - Facilities

Information Facilities

QSAR and statistical analysis

Expertise, software and methods for statistical analysis and multivariate analysis of complex sets of data. DoE and optimization of either experimental and computational activities. {read more}

Molecular Dynamics

Expertise and software for molecular dynamics of complex systems. Use of fine-grained and coarse-grained force fields. Application of MD for deriving thermodynamic properties of reaction sys ... {read more}

COSMO-RS

Expertise and sofware for calculation of thermophysical properties of liquid mixtures, by COSMO-RS method. COSMO-RS is a combinationof DFT calculationof molecular structure and statistical thermo ... {read more}

Instrumentation Facilities

HPC cluster

Two High Cerformance Computational infrastructures for scientific calculation are available. Small 16 CPUs linux cluster. Mid-size 256 CPUs linux cluster. {read more}
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