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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

Call for proposals 2027 #

The GDCh Division of Computers in Chemistry (CIC) is holding the 2027 call for proposals for the “CIC Young Scientist Award for Computational Chemistry”. The award recognises outstanding Master’s theses and doctoral dissertations that address scientific fields represented within the Division and make a special contribution to the development of the CIC field. Nominees should have completed their work at a higher education institution in a German-speaking country. The assessment criteria include thematic relevance, scientific quality and presentation. The work must have been completed between 01.01.2026 and 30.03.2027. A maximum of two awardees will be selected per call for proposals. Repeat submissions are not permitted.

The jury consists of the members of the Board and the associated Board members. The Board decides whether to confer the award, by an absolute majority of all serving Board members, after reviewing the jury’s report. Supervisors of the nominated work are excluded from the assessment and decision-making process.

The prize money is 350 euros in the Master’s category and 750 euros in the doctoral dissertation category. In addition, awardees receive a certificate detailing their achievements and, if they wish, a free one-year GDCh and CIC membership. The awards will be presented at the 20th GCC in 2028.

Nominations may be submitted by the graduates’ supervisors. The Master’s thesis or doctoral dissertation should have received a grade of at least “very good”.

The following documents must be submitted to the Board of the Division CIC, n.buerger@gdch.de, by 30 March 2027:

  • Nomination letter, including a brief summary of the work
  • Form with key details
  • Master’s degree certificate, doctoral certificate and transcripts
  • Doctoral dissertation/Master’s thesis, and, where applicable, publications of the results relevant to CIC

2025 #

2024

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”

2023

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“

2022

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"

2021

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

2020

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

2019

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

2018

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”

2017

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”

2016

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”

2015

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"

2014

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

2013

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

2012

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”

2011

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

2010

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”

2009

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”

2008

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”

2007

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"

2006

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”

2005

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”

2004

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

2003

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”

2002

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”

2001

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”

Call for proposals 2027

The GDCh Division of Computers in Chemistry (CIC) is issuing a call for proposals for the “CIC Young Scientist Award for Computational Chemistry” in 2027. The award is presented for outstanding Master's theses and doctoral dissertations that address scientific fields represented in the Division and constitute a particular contribution to the advancement of the CIC field. Nominees should have completed their work at a university in a German-speaking country. The assessment criteria include thematic relevance, scientific quality and presentation. The work must have been completed between 01.01.2026 and 30.03.2027. A maximum of two awardees will be selected per call for proposals. Repeat submissions are not permitted.

The jury consists of the members of the Board and the associated Board members. The Board decides whether to award the prize, by an absolute majority of all serving Board members, after taking note of the jury's report. Supervisors of the nominated work are excluded from the assessment and decision-making process.

The prizes are worth 350 euros in the Master's category and 750 euros in the doctoral dissertation category. In addition, the awardees receive a certificate detailing their achievements and, if they wish, a free one-year GDCh and CIC membership. The prizes will be presented at the 20th GCC 2028.

Proposals may be submitted by the graduates' supervisors. The Master's thesis or doctoral dissertation should have been awarded at least a “very good” grade.

The following documents must be submitted to the Board of the CIC Division, n.buerger@gdch.de, by 30 March 2027:

  • Nomination letter, including a brief summary of the work
  • Form with key details
  • Master's and doctoral certificates, transcripts
  • Doctoral dissertation/Master's thesis, and, where applicable, publications of the CIC-relevant results