Below you can find a list of scientific publications in which the CULGI software was used. If you would like to know more about a publication, follow the link to the full article. To cite CULGI in your publications use: “The Chemistry Unified Language Interface (CULGI), version 13.0, CULGI B.V., the Netherlands (2004-2019).
A Multiscale Approach for Estimating Permeability Properties of Polymers with Complex Aromatic Backbones: A Case Study on Diffusivity of Small Gas Molecules in Polyphenylene Ether
Augustinus J. M. Sweere Bhaskar Patham Vijayakumar Sugur Jan‐Willem Handgraaf; Macromolecular Theory and Simulations 2020, 29, 2000027.
Thermal analysis of interpenetrating polymer networks through molecular dynamics simulations: a comparison with experiments
Kamel Boudraa, Tewfik Bouchaour & Ulrich Maschke; Journal of Thermal Analysis and Calorimetry 2020, 140, pp 1845–1857.
Effectively parameterizing dissipative particle dynamics using COSMO-SAC: A partition coefficient study
Jonathan Saathoff; The Journal of Chemical Physics 2018, 148, pp 154102
Functionalization Pattern of Graphene Oxide Sheets Controls Entry or Produces Lipid Turmoil in Phospholipid Membranes
SCISSION FREE ENERGIES FOR WORMLIKE SURFACTANT MICELLES: DEVELOPMENT OF A SIMULATION PROTOCOL, APPLICATION, AND VALIDATION FOR PERSONAL CARE FORMULATIONS
CALCULATION OF DIFFUSION COEFFICIENTS THROUGH COARSE-GRAINED SIMULATIONS USING THE AUTOMATED-FRAGMENTATION-PARAMETRIZATION METHOD AND THE RECOVERY OF WILKE–CHANG STATISTICAL CORRELATION
Biomimetic PDMS-hydroxyurethane terminated with catecholic moieties for chemical grafting on transition metal oxide-based surfaces
Erik Laurini, Paola Posocco, Maurizio Fermeglia, Sabrina Pricl, In Clay-Polymer Composites, Chapter 3, Pages 83-112, New York, NY, 2017.
Temperature and Moisture Impacts on Asphalt before and after Oxidative Aging Using Molecular Dynamics Simulations
Mix and Match: Coassembly of Amphiphilic Dendrimers and Phospholipids Creates Robust, Modular, and Controllable Interfaces
Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC
Coarse-Grained Simulations of Polymer-Grafted Nanoparticles: Structural Stability and Interfacial Behavior
Molecular Dynamics Simulation of Asphaltic Material: Molecular Dynamics Simulations of Oxidative Aging of Asphalt Molecules under Stress and Moisture
Remediation technologies for oil-drilling activities in the Arctic: oil-spill containment and remediation in open water
Pitch variations of self-assembled cylindrical block copolymers in lithographically defined trenches
Hierarchical Structuring in Block Copolymer Nanocomposites through Two Phase-Separation Processes Operating on Different Time Scales
Morphology formation in polypropylene impact copolymers under static melt conditions: A simulation study
Liquid Crystalline Phases Induced by the Hydroxyl Group Stereochemistry of Amphiphilic Carbohydrate Bicatenary Derivatives
Self-Organization of Mixtures of Fluorocarbon and Hydrocarbon Amphiphilic Thiolates on the Surface of Gold Nanoparticles
Molecular Dynamic Simulations for Determining Change in Thermodynamic Properties of Asphaltene and Resin Because of Aging
Phase Evolution Theory for Polymer Blends with Extreme Chemical Dispersity: Parameterization of DDFT Simulations and Application to Poly(propylene) Impact Copolymers
Mesoscopic Simulation of Aggregate Structure and Stability of Heavy Crude Oil by GPU accelerated DPD
Aggregate Structure in Heavy Crude Oil: Using a Dissipative Particle Dynamics Based Mesoscale Platform
Multiscale Computer Simulation Studies of Water-Based Montmorillonite/ Poly(ethylene oxide) Nanocomposites
Base Invaders. Coupling Experiments and Multiscale Modeling of Dendrimer-Based siRNA Delivery Agents
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