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Homepage/Divisions/computers in chemistry/CIC-Young Scientist Award
computers in chemistry

CIC-Young Scientist Award

CIC-Young Scientist Award

CIC Young Scientist Award for Computational Chemistry

The “CIC Award for Computational Chemistry” is awarded for outstanding Master’s theses and doctoral dissertations that address the scientific fields represented in the Division of Computers in Chemistry (CIC) and make a particular contribution to the further development of the CIC field. Nominees must have completed their work at a higher education institution in a German-speaking country or region. The assessment criteria include thematic relevance as well as scientific quality and presentation.

The awards are generally presented annually and comprise prize money of €350 (Master’s thesis) or €750 (doctoral dissertation), a free one-year GDCh and CIC membership upon request, and a certificate detailing the achievements of the awardees. From 2025 onwards, a maximum of two awardees will be honoured per call for proposals.

Next call for proposals: Autumn/Winter 2026

awardee

Dr. Jan Gerald Rittig, RWTH Aachen University (RWTH), for his dissertation "Graph Machine Learning for Molecular Property Prediction and Design"

Dr. Louis Bellmann, University of Hamburg, for his dissertation “Algorithmic methods for combinatorial chemical libraries”

Dr. Dennis F. Dinu, University of Innsbruck, for his dissertation “Rationalizing molecular vibration through matrix isolation infrared spectroscopy and vibrational configuration interaction computations”

Anne Germann, University of Düsseldorf, for her master’s thesis "Computational investigation of the mechanochemistry of 2-ladderene derivates“

Dr. Janosch Menke, University of Münster, for his dissertation "Improving Ligand-based Virtual Screening by Utilizing Neural Networks to Generate Domain-specific Molecular Representations“

Dr. Marwin Segler, University of Münster, for his dissertation "Computational Hypothesis Generation for Synthesis Planning, Molecular Design and Reaction Discovery"

Janine Isabel Hellmers, University of Kiel, for her master's thesis "Fragmentation Methods for Electronic Interaction Energies"

Sophia M. N. Hönig, University of Hamburg, for her master's thesis "Convex Optimization of Matched Molecular Series Networks and its Application to Machine Learning"

Due to the pandemic, no award ceremony took place in 2021.

Jan Blasius, University of Bonn, for his Master's thesis "Theoretical Modeling of Chiral Systems"

Dr. Christoph Bannwarth, Stanford University, for his dissertation "„Development and Application of Efficient Methods for the Computation of Electronic Spectra of Large Systems“

Dr. Jan Meisner, Stuttgart, for his dissertation “Theoretical Investigations of Atom Tunneling in the Interstellar Medium”

Jochen Sieg, Hamburg, for his master’s thesis “Evaluation of Benchmark Datasets for Virtual Screening with Machine Learning”

Lisa Warczinski, Bochum, for her master’s thesis “Heuristic estimation of the dynamic correlation energy: Research for the validation of a novel approach”

Stephanie Maria Linker, Wöllstadt, for her Master's thesis “Predicting Drug-Fragment Binding Sites with Molecular Dynamics Simulations and Markov State Models” Christina Nutschel, Düsseldorf, for her Master's thesis “Large-scale analysis of protein thermostability: Bacillus subtilis Lipase A as a test case”

Dr. Stefan Bietz, Hamburg, for his dissertation “Methods for the computer-assisted generation and processing of structural ensembles for protein binding pockets” Julia Jasper, Dortmund, for her Master's thesis “Application of protein–ligand interaction fingerprints for the analysis and evaluation of docking results”

Dr. Markus Zimmermann, Tübingen, for his dissertation / Research Telegram "ChemPLPXB: Implementation of QM-based terms for the recognition of halogen bonding in drug design" Patrick Jascha Kibies, Dortmund, for his Master's thesis "Efficient integral equation-based conformational analysis in solution" Manuel Ruff, Kirchheim unter Teck, for his Master's thesis "Using Support Vector Regression to Develop a Quantum Chemical-based Scoring Function for the Recognition of Halogen Bonds Targeting Methionine"

Achim Sandmann, Erlangen, for his Master's thesis "Molecular Dynamics Simulations of p53 core domain"

Dr. Anne Mai Wassermann, Boston/USA, for her dissertation “Computational Analysis of Structure-Activity Relationships - From Prediction to Visualization Methods”

Dr. Anselm C. H. Horn, Erlangen, for his dissertation “Development of computational chemistry simulation methods and application to the amyloid-β peptide of Alzheimer’s disease” Florian Pfeiffer, Stuttgart, for his dissertation “Acceleration of self-consistent multiconfiguration methods for calculating molecular vibrational states through the introduction of polynomials”

Daniel Moser, Frankfurt, for his dissertation “Automatic Extraction of 3D Pharmacophores”

Dr. Simone Fulle, Düsseldorf, for her dissertation “Constraint counting on RNA and ribosomal structures: Linking flexibility and function”
Karen Schomburg, Hamburg, for her master’s thesis “Visualization of molecular subgraph patterns using the example of SMARTS expressions”

Dr José Batista, Bonn, for his doctoral thesis “Analysis of Random Fragment Profiles for the Detection of Structure-Activity Relationships” Frank Tristram, Karlsruhe, for his diploma thesis “Modelling Main-Chain Flexibility of Proteins in Computer-Aided Drug Development”

Dr. Oliver Korb, Konstanz, for his doctoral thesis “Efficient Ant Colony Optimization Algorithms for Structure- and Ligand-Based Drug Design” Andreas Jahn, Tübingen, for his diploma thesis “Incorporating Molecular Flexibility into three-dimensional Structural Kernels”

Dr. Ole Kayser, Hamburg, for his diploma thesis "Efficient Methods for the Generation of Bioactive Conformers of Small Molecules" Dr. Lars Schäfer, Göttingen, for his doctoral thesis "Photoactivated Processes in Condensed Phase studied by Molecular Dynamics Simulations"

Dr. Alexander Schug, San Diego/USA, for his dissertation “Free-Energy Simulations using Stochastic Optimization Methods for Protein Structure Prediction” Birte Seebeck, Hamburg, for her diploma thesis “Modelling Metal Interaction Geometries for the Protein–Ligand Docking Problem”

Dr. Andreas Fuchs, Kiel, for his doctoral thesis “Design and Synthesis of Ligands for the Lectin FimH” Michael Meissner, Frankfurt am Main, for his diploma thesis “A Meta-optimising Particle Swarm Algorithm for Training Artificial Neural Networks”

Dr Edgar Luttmann, Paderborn, for his dissertation "Molecular modelling investigations on the way to understanding Alzheimer's disease"

Dr. Frank Oellien, Schwabenheim, for his dissertation “Algorithms and applications for the interactive visualisation and analysis of chemistry-specific datasets” Gabriele Vierhuff, Bremen, for her diploma thesis “Concept and design of a system for applying structure–activity relationships to the risk analysis of environmental chemicals”

Dr.-Ing. Matthias Keil, Darmstadt, for his doctoral thesis “Modelling and Prediction of Structures of Biomolecular Associates Based on Statistical Database Analyses” Frauke Meyer, Heidelberg, for her diploma thesis “Calculation of Binding Free Energies including Protein Flexibility”

Dr. Andreas Bohne-Lang, Heidelberg, for his dissertation “A knowledge-based system for the rapid generation of 3D structures of relevant N-glycans and their mimicking glycocluster structures”