Group Leader Profiles

Displaying 1 - 16 of 16
Research

Prof. Dr. Ali Alavi

Director at the Max Planck Institute for Solid State Research (MPI-FKF)
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Electronic Structure Theory

The research in the Electronic Structure Theory department is largely concerned with the development of accurate methods to solve many-electron Schrodinger and more generally many-body type eigenvalue problems, which can handle electron correlation and spin-related phenomena, as well as ameliorating basis set errors which rise from slow-basis set convergence which appears in ab initio descriptions. These are problems for which exact solutions generally require exponentially large amounts of computer resources. Progress in such problems usually requires approximate techniques, such as stochastic diagonalisation and related active-space methods, coupled-cluster theory, as well as explicitly correlated methods such as "transcorrelation".

We welcome enquiries from qualified individuals (with a Masters in a relevant field of theoretical chemistry or physics).

Dr. Giovanni Li Manni, group leader at the Electronic Structure Theory Department offers a PhD position in the Field of Theoretical and Computational Chemistry for Enlightening open-shell 3d Metal Complexes through Compressed Ligand Fields. More info can be found here



Research Method and Area:
Theoretical and Experimental
Chemistry

PD Dr. Christian Ast

Group Leader at the Max Planck Institute for Solid State Research (MPI-FKF)
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Quantum Materials and Nanoelectronics - Atomic Scale Spectroscopy

The research in our group is focused on the electronic and magnetic properties of few level systems looking for new quantum limits at the atomic scale. We are exploiting the interplay of magnetism, superconductivity, and correlation effects to isolate few level systems and understand their dynamics. Using scanning tunneling microscopy at lowest temperatures (between 10mK and 500mK), we study individual magnetic impurities coupled to superconducting substrates. We are interested in the resulting phenomena, such as Yu-Shiba-Rusinov states, and their suitability for quantum sensing or information processing. In addition, we combine electron spin resonance spectroscopy with scanning tunneling microscopy to understand and manipulate single spin systems isolated from their enviornment.



Research Method and Area:
Experimental
Physics

Prof. Dr. Oliver Clemens

Professor for Materials Chemistry at University of Stuttgart
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New Materials for Energy Applications

The group works on the development of novel battery systems, among them fluoride ion batteries and solid state batteries. For the former, the intercalation and deintercalation of fluoride ions leads to a change of electronic properties, and can induce novel magnetic phenomena or superconductivity. The development of catalysts for the oxygen redduction reaction is further connected to the chemistry of oxyfluoride compounds. In addition, we target the development of materials for solid state batteries, considering their sustainability and suitability for circular economy. Methods used in the group comprise solid state and wet-chemical synthesis routes, thin film deposition as well as topochemical low-temperature routes, combined with structural, electrochemical and magnetic characterization and compositional analysis.



Research Method and Area:
Experimental
Chemistry, Material Science

Prof. Dr. Robert Dinnebier

Leader of the Scientific Facility "X-Ray Diffraction" at the Max Planck Institute for Solid State Research (MPI-FKF), Adj. Professor at the University of Stuttgart, Hon. Professor at the University of Tübingen
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X-Ray Powder Diffraction

• All aspects of modern powder diffraction • Structure determination • Thermochromic / Photochromic / Electronic / Magnetic materials • Microstructure • In-situ/time-resolved • Non-ambient conditions • Rietveld refinement • Parametric refinement • Landau theory / Strain-order parameter coupling • Method of Maximum Entropy



Research Method and Area:
Experimental
Chemistry, Material Science

Prof. Dr. Martin Dressel

Director of the 1st Physics Institute, University of Stuttgart
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Optical, Electronic, and Magnetic Properties of Quantum Materials, Superconducting Electronics, and Advanced Materials

Solid state physics, correlated electron systems, molecular quantum materials, magnetically frustrated systems, quantum spin liquids, topological materials, Dirac and Weyl electrons, physics of low-dimensional solids, superconductivity, materials for quantum computers, superconducting electronics, electrodynamics of solids, infrared and THz optical measurements of solids, microwave spectroscopy, magneto-optics, ellipsometry,



Research Method and Area:
Experimental
Physics

Prof. Dr. Eberhard Goering

Senior Scientist in the Keimer Department at the Max Planck Institute for Solid-State-Research (MPI-FKF)
homepage
Resonant X-Ray-Spectroscopy and Reflectometry (incl. Magnetism, XMCD and XRMR)

Polarized x-ray based studies on magnetism and modern magnetic materials utilizing X-ray magnetism circular dichroism (XMCD) and related techniques, like X-ray resonant reflectivity (XRMR), and X-ray spectroscopic microscopy. While beeing focused on Keimer Department research topics, related phenomena are interface magnetism, spin-orbit-coupling and spin-orbit-torque, voltage induced magnetocrystalline anisotropy, orbital moments, nano-magnetism, spin conduction and relaxation, and interfacial exchange interaction.



Research Method and Area:
Experimental
Physics

PD Dr. Daniel Kats

Group Leader at the Max Planck Institute for Solid State Research (MPI-FKF)
homepage
Coupled Cluster Theory

We are extending the coupled cluster theory, one of the most successful theories for ab-initio simulations of molecules, to study strongly correlated, extended and periodic molecular systems. We are developing novel coupled cluster approaches and embedding methodologies, and use automatic coding techniques to implement the new methods. These methods can be applied to various molecular or model systems, with strongly and weakly correlated electrons, to calculate ground and excited state properties and to predict or explain experimental findings.



Research Method and Area:
Theoretical
Chemistry

Prof. Bernhard Keimer

Director at the Max Planck Institute for Solid State Research (MPI-FKF) Speaker of the IMPRS-CMS
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Physics of Strongly Correlated Electron Systems

The department uses neutron and X-ray diffraction and spectroscopy as well as optical spectroscopy and Raman scattering to explore the structure and dynamics of materials with strong electron correlations. We also have a strong effort in the development of new spectroscopic methods. As the close collaboration between experimentalists and theorists is essential for progress in this field, a small theory group operates within the department.



Research Method and Area:
Experimental
Physics

Dr. Simon Krause

Group Leader at the Max Planck Institute for Solid State Research (MPI-FKF)
homepage
Dynamic framework materials and molecular machines

Our interdisciplinary research group explores how to teach crystals tricks of living matter by investigating dynamic features of molecular framework materials such as metal-organic and covalent organic frameworks (MOFs and COFs). By specifically tuning the structural topology of the framework, we create soft porous crystals which exhibit pore contraction and/or expansion as a response to the adsorption of gases and fluids or external triggers such as light irradiation. Such materials can act as responsive cargo-release systems, nanoscopic sensors or feature counterintuitive phenomena such as negative gas adsorption. We furthermore construct frameworks which contain molecular machines such as light-driven molecular motors and switches as responsive and intrinsically dynamic building blocks. We aim towards collective operating molecular machines in the solid state which are able to actively transport molecules in the pore space and facilitate dynamic conversion and storage of energy carriers and other small molecules. Our diverse team uses a wide range of synthetic and experimental tools and collaborates in national and international research projects to push the boundaries of dynamic features in crystalline solids.



Research Method and Area:
Experimental
Chemistry, Material Science

Prof. Dr. Anke Krueger

Chair of Organic Chemistry at University of Stuttgart, Faculty of Chemistry and Materials Science
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Prof. Dr. Sabine Laschat

Director of the Institute of Organic Chemistry, University of Stuttgart
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Catalysis - Liquid Crystals - Synthesis of Natural Products

My research interests deal with the design, synthesis and characterization of novel liquid crystalline materials, hybrid materials of dyes and liquid crystals, as well as biomaterials. We try to understand structure property relationships in such materials towards novel organic electronics, ion conductors and battery materials.



Research Method and Area:
Experimental
Chemistry

PD Dr. Giovanni Li Manni

Group Leader at the Electronic Structure Theory Department, Max Planck Institute for Solid State Research (MPI-FKF)
homepage
Quantum chemistry calculations for magnetic, catalytic and optical properties properties of mono- and poly-nuclear transition metal clusters

The research conducted by our group focuses on the development of advanced electronic structure theory for studying the complex magnetic, optical and catalytic properties of mono- and polynuclear transition metal clusters. Our work extends to the investigation of biological and biomimetic materials, as well as cluster models of crystals with increasing size and electronic complexity. Spin is the centerpiece of our research. Utilizing stochastic multiconfigurational methods, perturbation theory, and Multiconfiguration Pair-Density Functional Theory (MC-PDFT), we address open questions regarding their ground, excited, and transition states. For instance, we employ Stochastic-CASSCF, perturbation theory, and MC-PDFT to resolve the low-energy states of FeS cubanes, active in the nitrogen fixation process and the Co3ErO4 cubane, which serves as a biomimetic analog of the CaMn4O5 cluster in photosystem II, active towards the water splitting reaction. Our simulations provide valuable insights into the magnetic interactions across the metal centers, and predictions of the magnetic susceptibility at variable temperature. Additionally, we utilize metaheuristics, such as genetic algorithms and machine learning strategies, to enhance the efficiency of our electronic structure methods and to deepen our understanding of the magnetic properties of these systems.



Research Method and Area:
Theoretical
Chemistry

Prof. Dr. Rainer Niewa

Institute of Inorganic Chemistry, University of Stuttgart
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Inorganic Solid State Chemistry and Development of New Materials

The work focuses on synthesis and detailed characterization of metal-rich compounds, preferentially containing nitrogen as a constituent. First emphasis is the design and development of preparative techniques as basis for synthesis of novel materials. Special attention is granted to structural characterization, electronic and magnetic properties as well as mechanical and chemical behavior. These data are inevitable for any detailed consideration of chemical bonding and potential applications. • Advanced solid state synthesis of functional materials including various high pressure techniques, solvothermal synthesis and crystal growth, high temperature synthesis • Solid state reaction pathways and crystal growth mechanisms • Magnetic and superconducting materials, ionic conductors



Research Method and Area:
Experimental
Chemistry

Prof. Dr. Bertold Rasche

Jun.-Prof. at the Department of Inorganic Chemistry, University of Stuttgart
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Solid State and Electrochemistry

Electrochemistry provides us with an unmatched lever to control the chemical equilibrium. Employing this lever in inorganic solid state chemistry allows the access to new (metastable) phases and structures. Concomitantly, electrochemistry affords an outstanding precision in the control and analysis of the composition of phases. This is particularly needed when studying complex physical phenomena such as superconductivity, because these properties are often very sensitive towards composition.
My group follows a combined electrochemical and solid state chemical approach, where electrochemistry is used to change the composition of solids post-synthetically, or compounds are synthesised directly from solution. Joining this approach with in-situ X-ray diffraction finally establishes a direct link between the electrochemical experiment and structural changes. This not only provides insights into complex physical phenomena, but is also the foundation of more applied topics such as battery research and electrochemical sensing.



Research Method and Area:
Experimental
Chemistry, Material Science, Physics

Dr. Lorenzo Tesi

Emmy Noether Junior Group Leader
homepage
Molecular Spin Qubits in Two-Dimensions at THz Frequency

Among the possible systems that exhibit quantum properties, molecular spin qubits (MSQs) are one of the most versatile platforms. At the heart of MSQs is the electronic spin, which can originate from unpaired electrons of organic centers, transition metals or lanthanides. The organic ligand surrounding the qubit can also be engineered to tune the electronic and spin properties. My group focuses on the deposition of MSQs on surfaces and investigation using spectroscopic techniques, in particular magnetic resonance. We also aim to extend the operating frequency range from X-band (9 GHz) to THz (> 100 GHz) using plasmonic metasurface magnetic resonators designed and fabricated by us. The group is therefore very multidisciplinary, at the interface of chemistry and physics, and young, having been established in January 2024



Research Method and Area:
Experimental
Chemistry, Material Science, Physics

Prof. Dr. Joris van Slageren

University Professor, Institute of Physical Chemistry, University of Stuttgart
homepage
Advanced Spectroscopy for Quantum Technologies and Catalysis

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·       Spectroscopy, especially electron paramagnetic resonance spectroscopy at conventional and high frequencies. We apply and develop a wide range of experimental methods.

 

·       Molecular Quantum Science and Technologies, understanding, engineering and application of molecules in novel quantum architectures.

 

·       Molecular Nanomagnets, understanding of electronic structure and magnetic properties of molecular systems with bistable magnetization of molecular origin.

 

·       Catalysis, application of (THz and conventional) EPR methods in catalysis research, pushing toward in situ and operando investigations.

 



Research Method and Area:
Experimental
Chemistry, Material Science, Physics