The ?CIC Award for Computational Chemistry? is awarded for outstanding master's theses, diploma theses and dissertations that touch on the scientific fields represented in the Division of Computers in Chemistry (CIC) department and represent a special achievement for the further development of the CIC field. The nominees are said to have completed their thesis at a university in German-speaking countries. Evaluation criteria include the thematic relevance as well as the scientific quality and presentation. The work must have been completed after 01.01.21. Repeated submissions are excluded.
The prizes are usually awarded annually and are associated with prize money of 350 euros (master's / diploma thesis) or 750 euros (doctoral thesis), upon request of a free, one-year GDCh and CIC membership, as well as a certificate from the the merits of the awardee emerge. The award ceremony usually takes place at the annual German Conference on Cheminformatics (GCC).
The jury consists of the members of the board of directors and the associated board members. The Board decides on the award of the prize after taking note of the jury's report with an absolute majority of all incumbent board members. Supervisors of the proposed work are excluded from the evaluation and decision-making process.
Proposals can be submitted by the graduate supervisors. The master's / diploma thesis or dissertation should be rated at least with ?very good?. The work, possibly also in the form of publications of the CIC-relevant results, as well as a curriculum vitae with a short reasoning must be submitted in electronic form by June 15 - extended to December 15 - to:
German Chemical Society
Board of the Division CIC
Due to the pandemic, there was no award ceremony 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, Woellstadt, 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 computer-aided 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 "ChemPL PXB: Implementation of QM-based terms for the recognition of halogen bonding in drug design" Patrick Jascha Kibie s, 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 CH Hor n, Erlangen, for his dissertation "Development of computer-chemical simulation methods and application to the amyloid-? peptide of Alzheimer's disease" Florian Pfeiffer, Stuttgart, for his dissertation "Acceleration of self-consistent multi-configuration methods for calculating molecular vibration states by introducing polynomials"
Daniel Moser, Frankfurt, for his dissertation "Automatic extraction of 3-D 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 dissertation "Analysis of Random Fragment Profiles for the Detection of Structure-Activity Relationships" Frank Tristram, Karlsruhe, for his diploma thesis "Modeling the main chain mobility of proteins in computer-aided drug development"
Dr. Oliver Korb, Konstanz, for his dissertation "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 dissertation "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 "Modeling metal interaction geometries for the protein-ligand docking problem"
Dr. Andreas Fuchs, Kiel, for his dissertation "Design and synthesis of ligands for the lectin FimH" Michael Meissner, Frankfurt am Main, for his diploma thesis "A meta-optimizing particle swarm algorithm for training artificial neural networks"
Dr. Edgar Luttmann, Paderborn, for his dissertation "Molecular-Modeling Investigations on the Way to Understanding Alzheimer's Disease"
Dr. Frank Oellien, Schwabenheim, for his dissertation "Algorithms and applications for interactive visualization and analysis of chemistry-specific data sets" Gabriele Vierhuff, Bremen, for her diploma thesis "Conception and design of a system for the application of structure-activity relationships to the risk analysis of environmental chemicals"
Dr.-Ing. Matthias Keil, Darmstadt, for his dissertation "Modeling and Prediction of Structures of Biomolecular Associations on the Basis of Statistical Database Analysis" Frauke Meyer, Heidelberg, for her 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 glycoclusters"
last modified: 13.05.2021 18:59 H from