BIOVIA COSMOplex Cocrystals > Dassault Systemes

Fast, Accurate Inhomogeneous System Prediction

BIOVIA COSMOplex is a unique methodology extending COSMO-RS far into the regime of inhomogeneous systems, providing access to a series of physical-chemical properties. By this approach, COSMOplex yields results usually generated by molecular dynamics (MD), but at virtually no cost. COSMOplex is based on the COSMO-RS theory that derives the thermophysical behavior of liquids from quantum mechanical DFT calculations.

Key Features

  • Complete self-consistent assembly of molecules without external input
  • Distributions of neutral and ionic species
  • Interfaces and surfaces, e.g., interfacial and surface tension (IFT)
  • Critical micelle concentrations (CMC)
  • Microemulsions, e.g., fish points, equivalent alkyl carbon numbers (EACN)
  • Biomembranes as input for BIOVIA COSMOperm module: partition coefficients log P(membrane:water) and pH-dependent biomembrane permeability


  • Critical micelle concentrations can be calculated for pure surfactant compounds, with a good agreement with the experiment, and even mixtures of them.
  • By combining the chemical potential from COSMO-RS with atomic pressures, the surfactant molecules distribute in the simulation box until equilibrium is reached in a given geometry, e.g., spherical or cylindrical.
COSMOplex > Dassault Systemes

Start Your Journey

The world of COSMO chemistry is changing. Discover how to stay a step ahead with BIOVIA.

Also Discover

The Shortcut to COSMO-RS
Advanced COSMO-RS Implementation with Quantum Chemically Generated Charge Density Surfaces
Materials Science & Engineering
Foster Innovation with In Silico Design

Learn What BIOVIA Can Do for You

Speak with a BIOVIA expert to learn how our solutions enable seamless collaboration and sustainable innovation at organizations of every size.

Get Started

Courses and classes are available for students, academia, professionals and companies. Find the right BIOVIA training for you. 

Get Help

Find information on software & hardware certification, software downloads, user documentation, support contact and services offering