Hey hey welcome to Adem R.N. Aouichaoui’s personal page! 👋👋

Previously a postdoctoral researcher at the Process Systems Engineering center PROSYS, Department of Chemical & Biochemical Engineering at the Technical University of Denmark (DTU) and currently seeking new challenges within academia in applying data-driven methods for molecular science and process systems engineering (PSE).

During my Ph.D. i worked with developing and applying Graph Neural Networks (GNNs) for pure componenent property prediction. The work was carried out under thr supervision of Prof. Gürkan Sin and Assoc. Prof. Jens Abildskov. The properties targeted are of great importance to a wide range of diciplines such as phase equilibria, reaction engineering, enviromental/risk assessment and solvent screening. The general aim is to provide new tools for solvent screening that genralize better and describe a larger portion of the chemical design space. A main contribution was the development of GroupGAT and AGC, two interpretable GNN models that leverage the concept of functional groups (known from the group-contribution models) to highlight parts of the molecules with highest impact on the latent representation produced by the GNN. These insights were confirmed by chemistry knwoledge.

Latest News

• 19-06-2024: I gave a talk at the KT consortium annual meeting titled “MLEEP: Towards Optimizing The Processing Industry Using First Principles & Machine Learning”.
• 04-06-2024: I gave a talk titled “Towards self-consistent graph neural networks for predicting the ideal heat capacity, enthalpy and entropy” at the combined European Symposium of Computer-Aided Process Engineering and Symposium of Process Systems Engineering (ESCAPE34-PSE24). The work was carried out in collaboration with Dr.-Ing. Simon Müller from the Technical University of Hamburg (TUHH). You can read the work here.
• 03-06-2024: I had a poster presentation titled “Scoping and Identifying Data-Driven Optimization Prospects in the Danish Processing Industry” at the combined European Symposium of Computer-Aided Process Engineering and Symposium of Process Systems Engineering (ESCAPE34-PSE24). You can read the work here.
• 03-06-2024: I contributed to a poster pressentation titled “Energy- and process real-time optimization through hybrid modeling - a case from Viking Malt A/S” at the combined european Symposium of computer-aided process engineering and symposium of process systems engineering (ESCAPE34-PSE24). You can read the work here.
• 31-05-2024: I finalized a 1-year postdoc at the process systems engineering center at the department of Chemical and Biochemical Engineering at the Technical University of Denmark.

updated on 17-07-2024