Computational chemistry

Are you a chemist and looking for an efficient experimental program? Did you already think of ‘design of experiment's? Are you a products developer and searching for an optimal recipe or the most important effects that influence the properties of your material?
At Resolve, we can very well support this type of activities with our expertise of applied mathematics, statistics and chemo metrics. Our activities cover a very wide range of subjects. Maybe, you should consider an analysis of your experimental data by a statistical expert.
Are you in synthesis and puzzled by what’s going on in your chemistry? Maybe a simulation of (your idea of) the kinetics can help you further.
Did you develop a new material and you are not sure how to classify it within a framework of existing materials? A multivariate data analysis can help you with the classification.

Mathematical modeling, statistics and chemo metrics, design of experiments, multivariate data analysis, regression methods, nonlinear parameter fitting, statistical process control, simulation of reaction kinetics (including the information of molecular structure information), neural networks and genetic algorithms, software development, image analysis.

Application notes

• Harmonization of test methods, Interlaboratory comparison studies, ISO 5725, Calculation of repeatability and reproducibility
• Designing series of experiments and building "Black-box" models
• Analysis of historical plant data
• Validation of analytical methods
• Base course Statistics and Course Design of Experiments
• MS Excel Macros for Modeling, Data Analysis and Visualization
• Image Analysis (Descriptive Statistics etc.)