Scope of research

Dr. Kozlowska is the Head of the DNA Unit of Virtual Materials Design platform. Her group focuses on a "Virtual Design of Soft Matter and Natural Materials". She uses scale-bridging methods to understand dynamics and assembly of molecules and macromolecules (including biological macromolecules), molecular interactions, as well as diverse processes and phenomena at the interface of chemistry, biology and physics.

• density functional theory, molecular dynamics simulations, multiscale modeling
• virtual materials design using automated workflows
• spectroscopic properties of matter from DFT and TDDFT
• photophysical phenomena in metal-organic frameworks
• adsorption of molecules on surfaces, bond breaking and formation
• intra- and intermolecular noncovalent interactions, including H-bonds, stacking interactions
• design and structuring of macromolecules
• assembly of biologically active molecules

More details are available here. ORCID ID: 0000-0001-8471-8914.

Current projects

• "Synthetic Genomics: writing the code of life" within Carl Zeiss Stiftung
• "Multiscale simulations of single site catalysis in porous materials" (Project P3) within Research Training Group RTG 2450: Tailored Scale-Bridging Approaches to Computational Nanoscience
• "Functionality of molecular units from first principles" within the Cluster of Excellence "3D Matter Made to Order"
• "Virtual Design of Chiral Alignment Materials for Determination of Absolute Configuration of Complex Molecules" (P13) together with Prof. Burkhard Luy within Virtmat
• "Thin MOF films with photoswitchable electronic properties and On-Off conductance" within Coordination Networks: Building Blocks for Functional Systems DFG Priority Program 1928

Past projects

• Laureate of the support program for excellent junior scientists on their way to professorship - Brigitte-Schlieben-Lange-Programm (Ministry of Science, Research and Art of Baden-Württemberg). Project entitled “Structuring of polymers with multiscale modelling and simulation: towards design of functionality of soft matter”
• "Multiscale Modeling of Chemical Vapor Deposition" (P3) within Research Training Group RTG 2450: Tailored Scale-Bridging Approaches to Computational Nanoscience
• "Changes in structure, dispersity and phase behavior of virus-like particles (VLPs) with varying antigen epitopes under chemical and mechanical stress" (A9) within DiSPBiotech (SPP 1934)

List of publications

• 2021 – 2023 "Virtual Design of Chiral Alignment Materials for Determination of Absolute Configuration of Complex Molecules" (P13) together with Prof. Burkhard Luy within Virtmat
• 2019 – 2023 "Multiscale Modeling of Chemical Vapor Deposition" (P3) within Research Training Group RTG 2450: Tailored Scale-Bridging Approaches to Computational Nanoscience
• 2017 – 2018 "Dependence of chitosan modifications on the biopolymer affinity to adsorb nonsteroidal anti-inflammatory drugs" HPC-EUROPA3 (H2020, INFRAIA-2016-1) "Transnational Access Programme for a Pan-European Network of HPC Research Infrastructures and Laboratories for scientific computing"
• 2017 "Modeling the composite materials based on biopolymers and carbon nanotubes for the adsorption of nonsteroidal anti-inflammatory drugs" DAAD research grant, Technical University Berlin, Prof. Maria Andrea Mroginski
• 2015 – 2016 "Functionalization of carbon nanotubes with polyurethane polymers: first principles study" The Grant for Young Researchers of the University of Bialystok

Scientific projects (student position)

Awards

• Finalist of the Polish National Contest "Promoter for Science" in category TEAM for establishment and organization of science popular show "Creative discussions about Science" (2017)
• Award for Social Innovation during the 10th Ranking of Innovation in Podlasie Region. Award for establishment and organization of science popular show "Creative discussions about Science" (2017) 
• SKILLS-Praxis of Foundation for Polish Science 
• Scholarship for the internship in Computer-Chemistry-Center and Interdisciplinary Centre for Molecular Materials (Prof. Bernd Meyer), Friedrich-Alexander-Universitaet Erlangen-Nuernberg (2015)
• Contributed Awarded Talk for Young Scientists
• "From Computational Biophysics to Systems Biology" (CBSB14), 25-27 May 2014, Gdansk (Poland)
• The scholarship within "The scholarship for the PhD Students of Podlaskie Voivodeship" and "Individual Support Programme", co-financed by European Social Fund, Polish Government and Podlaskie Voivodeship (2014)
• The scholarship of Ministry of Science and Higher Education of Poland for the scientific achievements (2012)

Science popular activities