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Institution
Technische Universität Dresden
Fakultät Chemie und Lebensmittelchemie
Professur für Theoretische Chemie
Address
01062 Dresden
Deutschland
GERiT
This institution in GERiT
01062 Dresden
Projects
Research Grants
Current projects
Data-Driven Design of Two-Dimensional Non-van der Waals Materials
(Applicant
Friedrich, Rico
)
Single Ion Conducting Two-Dimensional Anionic Covalent Organic Framework Electrolytes for Next Generation Solid State Batteries
(Applicant
Heine, Thomas
)
Completed projects
Controlling the electronic and optical properties of two-dimensional crystal heterostructures
(Applicants
Korn, Tobias
;
Seifert, Gotthard
)
Development and application of a powerful computational tool for the topological analysis of molecular fields
(Applicant
Heine, Thomas
)
Gast-Wirt-Wechselwirkungen, Diffusion und mechanische Eigenschaften von festen Fullerenphasen, Fulleren-Komposit- und Kohlenstoff-basierte Nanostrukturen, mechanische Eigenschaften, Nano Sieving
(Applicant
Heine, Thomas
)
Integrated Computational Engineering, Characterization and Validation of Semiconductor Colloidal Nanocrystals with Advanced Properties
(Applicants
Gaponik, Nikolai
;
Joswig, Jan-Ole
;
Resch-Genger, Ute
)
Investigation of the properties of boron nanostructures with respect to the use in the nanotechnology
(Applicants
Kunstmann, Jens
;
Rümmeli, Mark H.
)
Novel Nanostructures Based on Imogolite Nanotubes, Their Derivatives and Applications
(Applicant
Heine, Thomas
)
Tailoring 2d transition metal dichalcogenides for electronic applications
(Applicant
Heine, Thomas
)
Theoretical investigation of electronic transport in functionalized 2D transition metal dichalcogenides
(Applicant
Heine, Thomas
)
Two-dimensional materials and surfactants: exfoliation, controlled stacks, targeted particle growth and functional heterostructures
(Applicant
Heine, Thomas
)
Priority Programmes
Current projects
Coordination Funds
(Applicant
Heine, Thomas
)
Hybrid Memristive Device with Multilevel-Modulated Electrical Conductance of Interfaced Atomically Thin 2D Materials and Molecular Oxides (2DPOMristor)
(Applicants
Devi, Anjana
;
Heine, Thomas
;
Monakhov, Kirill
)
Magnetic and electronic properties of graphene/MOFene superlattices
(Applicants
Feng, Xinliang
;
Heine, Thomas
;
Weitz, R. Thomas
)
SPP 2244: 2D Materials – Physics of van der Waals [hetero]structures (2DMP)
(Spokesperson
Heine, Thomas
)
Completed projects
Adsorption of harmful gases in MOFs and their spectroscopic properties
(Applicant
Mavrantonakis, Andreas
)
Enhanced water splitting activity through flame made heterojunctions of doped and functionalized mixed metal oxide nanoparticles predicted by combinatorial computational materials design
(Applicants
Heine, Thomas
;
Mädler, Lutz
)
Non-collinear orbital magnetism in molecules, nano-structures and solids
(Applicants
Eschrig, Helmut
;
Seifert, Gotthard
)
Orbitalmagnetismus in Molekülen und Festkörpern
(Applicant
Seifert, Gotthard
)
Photophysical and photoelectric properties of phthalocyanine-based MOF thin films
(Applicants
Bräse, Stefan
;
Heine, Thomas
;
Wöll, Christof
)
Platelets and inorganic fullerenes on metal surfaces
(Applicant
Seifert, Gotthard
)
Polarisation induced surface functionality of ferroelectrics
(Applicants
Eng, Lukas M.
;
Seifert, Gotthard
)
Polarisationsinduzierte Oberflächenfunktionalität an Ferroelektrika
(Applicant
Seifert, Gotthard
)
Prediction, synthesis and characterization of novel Imidazolate based metal organic frameworks
(Applicants
Holdt, Hans-Jürgen
;
Leoni, Stefano
;
Seifert, Gotthard
;
Thomas, Arne
)
Systematic Study of hydrogen adsorption in metal organic frameworks
(Applicants
Heine, Thomas
;
Hirscher, Michael
;
Seifert, Gotthard
)
Theoretische Studien zu strukturellen, elektronischen und dynamischen Eigenschaften von Ein- und Zweischicht-Halbleiterkolloiden
(Applicant
Seifert, Gotthard
)
Research Units
Current projects
FOR 2433: Switchable Metal-Organic Frameworks (MOF-Switches)
(Spokesperson
Kaskel, Stefan
)
Completed projects
Exploitation of flexibility, responsivity and chemical selectivity in switchable pillared layer MOFs for specific gas adsorption and separation – a first-principles approach
(Applicant
Heine, Thomas
)
Grenz- und Oberflächen von ferroischen Schichten
(Applicant
Gemming, Sibylle
)
Molekulardynamik-Simulation der Bildung und Reaktivität von Molekülen und Clustern
(Applicant
Seifert, Gotthard
)
Major Research Instrumentation
Completed projects
Computer-Cluster
IT-Ausstattung
Node-Performance Cluster Chemistry
Collaborative Research Centres
Current projects
Accurate Prediction of Vibrational Spectra for 2D Materials
(Project Head
Golze, Dorothea
)
Functional 2D Heterostructures by Data-Driven Design
(Project Head
Friedrich, Rico
)
Integrated Research Training Group 2D Materials
(Project Heads
Brumme, Thomas
;
Friedrich, Rico
;
Weidinger, Inez
)
Magnetism and Electrostatic Gradients in 2D Polymers and Their Heterostructures
(Project Head
Heine, Thomas
)
Sustainable Research Data Management
(Project Heads
Heine, Thomas
;
Kaskel, Stefan
;
Nagel, Wolfgang E.
)
Completed projects
Effects of Mechanical Strain on the Structure and Properties of 2D Materials and their Heterostructures
(Project Head
Brumme, Thomas
)
Theoretische und experimentelle Untersuchungen der Reaktivität von mono- und bifunktionellen self-assembly Molekülen auf leitenden und isolierenden Substraten
(Project Heads
Eng, Lukas M.
;
Seifert, Gotthard
)
DIP Programme
Current projects
Magnetic van der Waals Heterostructures
(Applicants
Heine, Thomas
;
Naveh, Doron
)
Independent Junior Research Groups
Current projects
Accurate, Exascale-Ready Methods for Theoretical Core-Level Spectroscopy of Complex Materials
(Applicant
Golze, Dorothea
)
Research Training Groups
Current projects
GRK 2721: Hydrogen Isotopes 1,2,3H
(Spokesperson
Asmis, Knut R.
)
GRK 2861: Planar Carbon Lattices
(Spokesperson
Heine, Thomas
)
Clusters of Excellence
Completed projects
EXC 1056: Center for Advancing Electronics Dresden (cfAED)
(Spokesperson
Fettweis, Gerhard P.
)
NFDI technical and methodological consortia
Current projects
FAIRmat – FAIR Data Infrastructure for Condensed-Matter Physics and the Chemical Physics of Solids
(Spokesperson
Draxl, Claudia
)
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