News
23.08.2024 - New group member
Chaogang started his Bachelor thesis with us. Welcome Chaogang and good luck with the!
29.07.2024 - Paper accepted
Anna and her collaborators from Croatia just published a paper entitled "Theoretical and Experimental Insights into the Spatial Distribution of Functional Groups in a Multivariate Flexible Metal−Organic Framework" in the Chemistry of Materials.
26.07.2024 - Paper accepted
Anna and co-workers from Stalke group published a paper entitled "Reducing hybrid ligand-based alane and chasing aluminium(i): dialane and unusual transient dialumene" in the Dalton Transactions.
22.07.2024 - Paper accepted
Anna and her collaborators from Poland and Germany just published a paper entitled "Charge Density Study of Two-Electron Four-Center Bonding in a Dimer of Tetracyanoethylene Radical Anions as a Benchmark for Two-Electron Multicenter Bonding" in the Crystal Growth and Design.
07.07.2024 - Invited lecture - 74th ACA Meeting
Anna got invited to the 74th American Crystallographic Association Meeting in Denver to deliver an invited lecture on Predicting electrostatic and optoelectronic properties of biomolecules via group polarizability approach |
01.07.2024 - New group member
Rasmus joined our group to get to known with our lab during his Forschungspraktikum. Welcome Rasmus!
22.06.2024 - New group member
Jin started his Master thesis in our research group. He is going to work on Temperature-dependence of the electric field gradient of Ta-doped rutile TiO2, as a joined project between our group and group of Dr. Juliana Schell from ISOLDE-CERN. Good luck with the project Jin
20.06.2024 - Paper accepted
Raphael's next paper on "Unveiling GruPol: Predicting Electric and Electrostatic Properties of Macromolecules via the Building Block Approach" gets published in the J. Phys. Chem. B and reaches the FRONT COVER. Congratulations Rapha! Fantastic job. |
17.06.2024 - New group member
Philipp started his Bachelor thesis with us. He will work on synthesis and characterization of novel chemosensors based on halogenated anthracene derivatives. Welcome Philipp! Have fun with the project!
01.05.2024 - New group member
Sebastian officially started his PhD in our group. He will join high-pressure crystallography and spectroscopy with quantum crystallography tools to tailor solid-state fluorescence. Welcome Sebastian and good luck with the project!
17.04.2024 - Paper accepted
Anna together with Alessandro Genoni just published a review on "Current developments and trends in quantum crystallography" in the Acta Cryst. B. The article is part of a collection of articles from the IUCr 2023 Congress in Melbourne, Australia, and commemorates the 75th anniversary of the IUCr. It is also included in a focused issue on Quantum Crystallography commemorating the 100th anniversary of the development of Quantum Mechanics. |
12.03.2024 - Dorothea Schlötzer Mentoring-Programm
Anna became a mentor in the Dorothea Schlötzer Mentoring-Programm
02.03.2024 - Paper accepted
Anna and her collaborators from Poland, China and Iran just published a paper entitled "Water-Stable Pillared Three-Dimensional Zn−V Bimetal−Organic Framework for Promoted Electrocatalytic Urea Oxidation" in the Inorganic Chemistry.
15.12.2023 - New group member
Nils-Oliver Schütz just joined our group to work on his Master thesis. Welcome Nils and good luck with the project!
14.12.2023 - QCr Webinar: Distinguished Lectures on Quantum Crystallography and Complementary Fields
Anna was invited to give a webinar on dipolar group polarizabilities within the Distinguished Lectures on Quantum Crystallography and Complementary Fields webinar series
01.12.2023 - Paper accepted
Anna and her collaborators from Krakow just published a paper entitled "Flattening of a Bent Sulfonated MOF Linker: Impact on Structures, Flexibility, Gas Adsorption,CO2/N2 Selectivity, and Proton Conduction" in the Inorganic Chemistry.
01.11.2023 - New group member
Dennis just joined our group to work on his Master thesis. Welcome Dennis and good luck with the project!
23.10.2023 - Paper accepted
Anna and co-workers from Stalke group published a paper entitled "Synthesis of a Novel Asymmetric Ligand System Incorporating Classic Moieties through Acylation of 2,3,3-Trimethylindolenine" in the European Journal of Inorganic Chemistry. Congratulations to Xiaobai Wang on his first-author publication!
20.10.2023 - New group member
Merit joined our group to get to known with our lab during her Forschungspraktikum. Welcome Merit!
10.10.2023 - New group member
Antonios joined our group to connect with quantum crystallography subject during his Forschungspraktikum. Welcome Antonios!
29.09.2023 - Synchrotron beamtime
Anna and Nico together with Alexandra Friedrich from University of Würzburg just finished beamtime at ESRF in Grenoble. They got some very exciting results. Stay tuned for more info!
22.09.2023 - Paper accepted
Anna and Christopher Golz from Alcarazo group published a paper entitled "Spironolactone: New Polymorphic Form III and Revisiting Form II at Low Temperatures" in the Crystal Growth and Design.
22.07.2023 - New group member
Sebastian officially started his Master thesis in our group. Welcome Sebastian and good luck with the project!
01.06.2023 - New group member
We are happy to welcome Hanna Kaspiaruk from University of Lodz, in our group as an Erasmus+ PhD student. Hanna is working on charge density analysis and high-pressure crystallography of API co-crystals
02.05.2023 - CyberMentor
Anna became a mentor in the CyberMentor Online-Mentoring-Programm für Mädchen in MINT
13.04.2023 - Paper accepted
Anna and coworkers from Zagreb published a paper entitled "Stacks of Equidistant 5,6-Dichloro-2,3-dicyanosemiquinone (DDQ) Radicals under Variable-Temperature and High-Pressure Conditions" in the Crystal Growth and Design.
13.02.2023 - Paper accepted
Tim and coworkers from Göttingen published a paper entitled "Structure Elucidation of Lithium Compounds using 7Li Residual Quadrupolar Couplings" in the Chemistry: A European Journal.
08.02.2023 - Paper accepted
Tim's first paper entitled "Investigation of Solid-State Emission of Halogenated Diphenyl Phosphanyl Anthracenes" got accepted for publication in the Advanced Optical Materials. Congratulations to Tim for his first-author paper!
23.01.2023 - TOP 8!
Nico among 8 best young scientists in Nachwuchswissenschaftler/in des Jahres 2022. Congratulations!
10.01.2023 - Paper accepted
Raphael together with Brazilian coworkers publishes a paper entitled "Distributed functional-group polarizabilities in polypeptides and peptide clusters toward accurate prediction of electro-optical properties of biomacromolecules" in the Journal of Molecular Modelling.
03.01.2023 - Paper accepted
Anna and coworkers published a paper entitled "The nature of pi-hole interactions between iodide anions and quinoid rings in the crystalline state" in the IUCrJ.
15.12.2022 - Paper accepted
Anna and coworkers from Krakow published a paper entitled "Hierarchical analysis of the target-based scoring function modification on the example of selected class A GPCRs" in the Physical Chemistry Chemical Physics.
25.11.2022 - Paper accepted
Raphael's paper entitled "A building-block database of distributed polarizabilities and dipole moments to estimate optical properties of biomacromolecules in isolation or in an explicitly solvated medium" got accepted for publication in the Journal of Computational Chemistry.
21.11.2022 - Paper accepted
Raphael's and Anatoly's paper entitled "Benchmark of a functional-group database for distributed polarizability and dipole moment in biomolecules" got accepted for publication in Physical Chemistry Chemical Physics. Congratulations!
12.10.2022 - ENLIGHT workshop
Anna and her colleagues in Göttingen, Nadja Simeth and Daniel Obenchain, organized a workshop on the topic of "Solvation Effects in Modern Research" funded by the ENLIGHT programme.
29.09.2022 - New group member
Nico successfully defended his PhD thesis and immediately starts a PostDoc position in our group.
23.08.2022 - European Crystallography Meeting
Anna and Nico both got accepted and presented talks during the 33rd European Crystallography Meeting (ECM) in Versailles, France.
01.08.2022 - Anna becomes ECM SIG2 Vice-Chair
From August on Anna will be the elected Vice-Chair of the Special Interest Group on Quantum Crystallography (SIG2) within the European Crystallographic Association (ECA). Congratulations!
01.08.2022 - Visiting student
Yuliia from the Jagiellonian University in Krakow, Poland stays with the group for 2 month as a lab intern.
12.06.2022 - International Charge Density Meeting
Raphael got invited and presented results of his research during the 9th International Charge Density Meeting in Aarhus, Denmark. His first scientific congress participation and quite a success! Well done Raphael!
01.05.2022 - Visiting researcher
Dr. Kornel Roztocki joins our group for 3 months as a visiting researcher from the Adam Mickiewicz University in Poland to investigate the crystal structures of breathing MOFs under high pressure.
01.04.2022 - Project approved!
Anna and Nico wrote a proposal for a project which aims to develop VR based tools to teach crystallography and which got accepted by InnovationPlus programme of the ministry of science culture in lower saxony. We will now receive funding from April this year for a period of one year to work on this project. To support this project,
Maike joined the group as a student assistant.
31.03.2022 - Paper accepted
Anna's paper entitled "Tuning Adsorption-Induced Responsiveness of a Flexible Metal–Organic Framework JUK-8 by Linker Halogenation" got accepted for publication in Chemistry of Materials.
25.03.2022 - Frühjahrssymposium
Anna was invited by the JCF and presented her research during the 24th Frühjahrssymposium in Hannover.
01.03.2022 - PolaBer website launched!
Finally, the PolaBer website is online. With this, the PolaBer program to calculate and visualize distributed atomic polarizabilities based on electron density partitioning developed by Anna and Pierro Macchi is freely available to everyone.
01.12.2021 - Paper accepted
Anna's paper entitled "Crystallography meets orbital-free DFT – two-pronged approach towards chemical bonding characteristics in chemical bonding analysis" got accepted for publication in Acta Crystallographica B.
11.11.2021 - New group member
We welcome Raphael in the group who joins us from Brazil. During his PhD he will investigate a database approach using group polarizabilities towards better prediction of electrooptic properties.
06.1.2021 - Ignite 2021 webinar series
Anna was invited to talk about Quantum Crystallography during the 2021 Ignite webinar series organised by the Krishna Menon Memorial Goverment Women's College. |
01.07.2021 - Paper accepted
Anna and coworkers published a paper entitled "Charge density studies of multicentre two-electron bonding of an anion radical at non-ambient temperature and pressure" in IUCrJ.
01.06.2021 - First bachelor student
Sebastian joined our group for his bachelor thesis. He will work on the synthesis of halgenated anthracene derivatives and investigate their photochemical properties in relation to their crystal structure.
10.05.2021 - Paper accepted
Anna and her coworkers in Brazil published a paper entitled "Accurate Atom–Dipole Interaction Model for Prediction of Electro-optical Properties: From van der Waals Aggregates to Covalently Bonded Clusters" in the Journal of Physical Chemistry A.
01.04.2021 - New group member
Tim joins the group as the first PhD student and will be working and the synthesis and characterization of luminsecent anthracene derivatives.
01.10.2020 - AK Krawczuk is founded!
Anna started her position as Junior-Professor in Göttingen.