Find Academic Supervisors

Prof. Dr. André Bardow is a Full Professor in Energy and Process Systems Engineering at ETH Zurich , leading research at the intersection of thermodynamics, machine learning, and sustainable energy systems. Previously, he held professorships at RWTH Aachen University (2010-2020) and TU Delft (2007-2010). He also served as part-time director at Forschungszentrum Jülich (2017-2022) and visiting professor at UC Santa Barbara (2015/16). His work focuses on energy systems optimization , computer-aided molecular design , and CO2 capture & utilization . PhD from RWTH Aachen University Current ETH Zurich affiliation Former roles at RWTH Aachen, TU Delft, Jülich Research Center His research integrates machine learning with thermodynamic modeling to optimize processes like crystallization and electrochemical cooling . Recent publications demonstrate advancements in solvent design, CO2 transport LCA, and ORC working fluid optimization. He chairs the VDI Technical Committee for Thermodynamics (2016-2024) and has received multiple awards including the Covestro Science Award and Arnold-Eucken-Award . Current projects address carbon circular economies , electrified chemical production , and AI-driven process optimization . His lab at ETH Zurich develops cutting-edge technologies like ML-CAMPD frameworks for sustainable separation processes and photoacid-based CO2 capture systems. Funding from the H2020 Systemic Expansion of Circular Ecosystems (grant 101036854) supports these initiatives. 2024 Clarivate Highly Cited Researcher 2022 Inaugural Lecture: "To sustainability and beyond: A computer-animated story on energy & chemicals" Recipient of multiple teaching and research excellence awards

• Energy Systems Optimization
• Conceptual Process Design
• Life Cycle Assessment
• +8 more

Prof. Vasilis Ntziachristos is a Professor and Chair of Biological Imaging at the Technical University of Munich (TUM), leading the Institute of Biological and Medical Imaging at the Helmholtz Centre Munich. His research focuses on developing novel optical and optoacoustic imaging techniques for early disease detection, diagnostics, and theranostics. He holds a PhD in Bioengineering from the University of Pennsylvania and previously served as an Assistant Professor at Harvard University and Massachusetts General Hospital. Affiliations: TUM School of Medicine and Health, Helmholtz Munich, Institute of Biological and Medical Imaging. Key Research Themes: Non-invasive imaging methods, molecular imaging, optoacoustic technology, and clinical translation. His work bridges theoretical developments with clinical applications, including advancements in glucose monitoring, cancer imaging, and drug delivery systems. Notable awards include the Leibniz Prize (2013) and the World Molecular Imaging Society Gold Medal (2015). Labs/Teams: Imaging to Sensing I2S, Optoacoustic Mesoscopy, Fluorescence Imaging, and AI in Optoacoustics. Grants/Projects: Involvement in Horizon Europe initiatives and collaborations with TranslaTUM and Helmholtz Munich. Prof. Ntziachristos actively contributes to education via courses like 'Biological Imaging' and 'Introduction to Bioengineering', fostering the next generation of imaging scientists.

• Biomedical Imaging
• Optoacoustic Imaging
• Medical Diagnostics
• +3 more

Markus Schmidt is a Professor of Fiber Optics at Friedrich Schiller University Jena and serves as Head of the Research Department of Fiber Photonics at the Leibniz Institute for Photonic Technologies (IPHT), where he leads the Hybrid Fibers work group. He previously held a team leadership position at the Max Planck Institute for the Science of Light (2006–2012) and conducted research at Imperial College London (2011). His research integrates fiber optics and photonics for applications in biophotonics, optofluidics, plasmonics, and nonlinear optics. Key innovations include 3D nanoprinted holograms for remote focus control, liquid-core fibers for stable supercontinuum generation, and fiber-integrated platforms for nanorheology and quantum spectroscopy. His work bridges materials science and applied photonics , enabling advancements in telecommunications, environmental monitoring, and bioanalytics. Scientific awards and student mentorship details are not explicitly mentioned in the provided texts. His email is markus.schmidt@leibniz-ipht.de .

• Photonics
• Fiber Optics
• Biophotonics
• +8 more

Prof. Dr.-Ing. Selin Kara is a Professor at the Institute of Technical Chemistry, Faculty of Natural Sciences, Leibniz University Hannover. She leads research in biocatalysis and bioprocessing, with a focus on sustainable and innovative enzyme-based technologies. Her leadership roles include Spokesperson of the Curriculum and Teaching Committee for Life Science and Chairperson of the Admissions Board for MSc Life Science. Full Name: Selin Kara Institution: Leibniz University Hannover Faculty: Faculty of Natural Sciences Department: Institute of Technical Chemistry Academic Rank: Professor Email: selin.kara@iftc.uni-hannover.de Her research interests center on biocatalysis and bioprocessing , particularly in redox biocatalysis , enzyme immobilization , non-conventional media such as deep eutectic solvents, biocatalytic cascades , and flow biocatalysis . She explores enzyme kinetics and process engineering to enhance efficiency and sustainability in chemical synthesis. Her group develops novel reactor systems and materials, including hydrogels and 3D-printed microfluidics, for advanced biocatalytic applications. She emphasizes green chemistry principles, aiming to replace traditional chemical processes with eco-friendly enzymatic alternatives. The most recent publications (2024–2025) demonstrate a strong trend in deep eutectic solvents , fusion enzymes , immobilization techniques , and sustainable synthesis of bio-based chemicals . Her work integrates experimental and computational methods to understand enzyme behavior and optimize reaction systems. Key themes include process intensification, solvent engineering, and industrial scalability, with applications in pharmaceuticals, fragrances, and sustainable materials. She holds leadership positions in academic governance, including: Spokesperson, Curriculum and Teaching Committee, Life Science (BSc/MSc) Chairperson, Admissions Board for MSc Life Science Executive Board Member, Institute of Technical Chemistry Deputy Representative for Professors in Faculty Council and Examination Boards Her research is highly collaborative, involving interdisciplinary teams and international partners, and is consistently published in high-impact journals such as Green Chemistry , ACS Catalysis , and ChemSusChem . While specific scientific awards and student advisees are not listed in the provided text, her extensive publication record and leadership roles reflect significant academic contributions.

• Biocatalysis
• Bioprocessing
• Redox Biocatalysis
• +12 more

apl. Prof. Dr. habil. Thomas Seifert is an extraordinary professor in the Professorship for Mineral Deposits and Petrology at the Faculty of Geosciences, Geotechnics and Mining of Technische Universität Bergakademie Freiberg. His academic career spans over three decades with significant contributions to economic geology and mineral deposit research. Since 2011, he has served as an apl. Professor for Geology and Metallogeny of mineral resource deposits, and since 2012 has been in charge of the Professorship for Lagerstättenlehre (mineral deposit science) and Petrology at TUBAF. Seifert's research focuses on metallogeny of Sn-W-Mo-Li-In polymetallic deposits, hydrothermal Au and Ag polymetallic mineralization, Archaean Lithium-Cesium-Tantalum pegmatites, petrology of lamprophyres and related rocks, and Large Igneous Provinces. His work bridges theoretical understanding with practical mineral exploration, particularly for critical raw materials essential for modern technology. His extensive field experience includes research in Germany, Australia, Zimbabwe, Russia, China, Canada, and the United States. His recent publications demonstrate a strong emphasis on critical metal exploration, particularly tin, lithium, indium, and other strategic elements. His research combines detailed mineralogical, geochemical, and geochronological studies to understand the formation processes of economically important deposits. The articles reveal his expertise in both European Variscan deposits and Archaean cratonic settings, with particular attention to the Erzgebirge region of Germany and comparable deposits worldwide. Seifert has received the Julius-Weisbach-Preis in 2009, recognizing his contributions to geoscience. He maintains active memberships in key professional societies including the Society of Economic Geologists (since 1996), International Association for the Genesis of Ore Deposits (since 1993), and Deutsche Gesellschaft für Geowissenschaften (since 2002). His collaborative research extends across international boundaries, working with institutions in Australia, Zimbabwe, Czech Republic, Sweden, and other countries. His work on iron oxide-apatite deposits, critical metal enrichment in skarn systems, and Ni-Cu-PGE sulfide mineralization demonstrates the breadth of his research interests and their relevance to modern mineral exploration challenges.

• Metallogeny of Sn-W-Mo-Li-In polymetallic deposits
• Metallogeny of hydrothermal Au and Ag polymetallic mineralization
• Metallogeny of Archaean Lithium-Cesium-Tantalum pegmatites
• +5 more

Professor Emiliano Cortés is a faculty member at the Ludwig Maximilian University of Munich (LMU), where he leads research in Plasmonic and Photonic Chemistry at the Nano-Institute Munich. His work bridges the fields of nanotechnology, physical chemistry, and materials science, focusing on light-matter interactions for energy conversion applications. Dr. Cortés' research focuses on plasmonics , photocatalysis , and electrocatalysis at the nanoscale. His group investigates how the dynamics of photons, plasmon-polaritons, carriers, phonons, and molecular states influence chemical reactivity. A key aspect of his work involves developing techniques to study plasmonic systems at the single particle level and designing rational synthesis approaches for plasmonic colloidal photo and electrocatalysts. His research has significant implications for sustainable energy technologies, environmental remediation, and advanced sensing applications. Analysis of Professor Cortés' recent publications reveals a strong focus on energy conversion processes, with particular emphasis on CO2 reduction, ammonia synthesis, and hydrogen production. His work integrates plasmonic effects with catalytic processes to enhance reaction efficiencies, often through innovative interface engineering and nanostructure design. The research spans fundamental studies of charge carrier dynamics to practical applications in energy storage and environmental technologies. Professor Cortés actively mentors doctoral candidates and postdoctoral researchers, currently advertising open positions for projects on Single particle photo and electrocatalysis and Synthesis of hybrid colloids . His research group, the Hybrid Plasmonics Lab (www.hybridplasmonics.org), receives funding from various sources to support their work on plasmon-mediated chemistry for sustainable applications. The Cortés research group operates within the Nano-Institute Munich, utilizing state-of-the-art facilities for nanomaterial synthesis, characterization, and testing. Their work combines experimental approaches with theoretical modeling to understand and harness light-matter interactions at the nanoscale for practical applications in energy conversion and environmental technologies.

• Plasmonics
• Photocatalysis
• Electrocatalysis
• +3 more

Prof. Dr. Christian Mayer is a Professor in Physical Chemistry at the Faculty of Chemistry, University of Duisburg-Essen. He serves as Head of the working group focusing on origin of life research, nanocapsules, and NMR spectroscopy techniques. His research group is located at Universitätsstraße 5, D-45141 Essen, Germany, with contact information including phone number +49 201 183-2570. Prof. Mayer's research interests primarily focus on the origin of life in deep tectonic fault zones of the first continental fragments, where he collaborates with Prof. Dr. Ulrich Schreiber from the Faculty of Biology and Prof. Dr. Oliver Schmitz from Applied Analytical Chemistry. His work investigates how vesicle formation occurs in tectonic fault systems through cyclic phase transitions of carbon dioxide, creating ideal conditions for molecular evolution. He specializes in pulsed field gradient NMR (PFG-NMR), high-resolution NMR, and solid-state NMR techniques to characterize nanoscale systems including nanocapsules, vesicles, and microemulsions. His recent publication trends reveal a strong interdisciplinary focus spanning physical chemistry, prebiotic chemistry, and astrobiology. The articles demonstrate increasing integration of computational methods with experimental approaches, particularly in analyzing molecular structures and dynamics. His research has evolved from fundamental studies of nanocapsule systems to broader investigations of protocell formation mechanisms under early Earth conditions, with recent work extending to astrobiological contexts including potential life formation on Titan. Prof. Mayer has established significant collaborations across multiple disciplines, particularly with geologists and biologists, to investigate the physical chemical processes that could have led to the emergence of life. His work bridges fundamental physical chemistry with practical applications in nanomedicine, particularly in developing artificial oxygen carriers based on nanocapsule technology. His laboratory utilizes high-pressure facilities to simulate early Earth crust conditions, with a particular focus on supercritical CO 2 environments. The working group combines experimental approaches with theoretical modeling to understand vesicle formation processes and their implications for the origin of cellular life.

• Origin of life
• Nanocapsules
• NMR spectroscopy
• +5 more

Kai Leonhard is an Adjunct Professor at the Chair of Technical Thermodynamics , RWTH Aachen University. His research focuses on computational chemistry, thermodynamics, and molecular modeling, particularly in solvent design and reactive chemical processes. Department: Chair of Technical Thermodynamics Email: kai.leonhard@ltt.rwth-aachen.de Prof. Leonhard's work integrates quantum chemistry with computer-aided molecular and process design (CAMD/CAPD), emphasizing solvation thermodynamics, reaction kinetics, and machine learning applications. His projects span biofuel combustion, microgel synthesis, and sustainable solvent development. Recent publications highlight advancements in COSMO-RS-based solvent screening, reaction network exploration via ChemTraYzer-TAD, and multi-fidelity modeling for partition coefficients. He employs machine learning to enhance predictive thermodynamic models and optimize chemical processes.

• Thermodynamics
• Computational Chemistry
• Molecular Modeling
• +3 more

Dr. Frank Hennrich is a Project Leader at the Institute of Nanotechnology (INT), Karlsruhe Institute of Technology (KIT), Germany, within the Research Unit for Physical Chemistry of Nanoscale Systems. His research focuses on the synthesis, separation, and functionalization of carbon nanotubes and related nanomaterials. His primary research interests include nanomaterials, particularly carbon nanotubes and fullerenes, with an emphasis on their physical chemistry, spectroscopic characterization, and optoelectronic properties. His work spans synthesis, separation techniques, defect engineering, and applications in photonics and electronics. Recent publications highlight investigations into electroluminescence from quantum-defect-engineered nanotubes, ion mobility of metalated complexes and superatoms, and advanced separation methods for nanotubes. The trend in his recent publications shows a strong focus on the fundamental physical and chemical properties of low-dimensional carbon materials. His work integrates advanced spectroscopic and separation techniques such as trapped ion mobility spectrometry, Raman spectroscopy, and dielectrophoresis to understand and manipulate nanotube chirality, electronic type, and defect states. There is a clear trajectory toward optoelectronic applications, particularly in quantum light sources and integrated photonic devices operating in the telecom band. Dr. Hennrich has not been mentioned to have received any specific scientific awards in the provided text. He has collaborated extensively with leading researchers such as R. Krupke, M. M. Kappes, P. Weis, and others across numerous publications, indicating a strong network in the nanomaterials research community. While no specific grants are listed, his sustained publication record in high-impact journals suggests ongoing research funding. He has contributed significantly to the development of methods for sorting and functionalizing carbon nanotubes, which are foundational for their technological applications. His research is conducted within the Institute of Nanotechnology at KIT, a prominent institution for nanomaterials research, where he leads a group focused on the physical chemistry of nanoscale systems, particularly carbon-based nanostructures.

• Nanomaterials
• Carbon Nanotubes
• Fullerenes
• +7 more

Professor Wolfgang Fritzsche serves as Head of the Nanobiophotonics Department at the Leibniz Institute of Photonic Technology (Leibniz-IPHT) in Jena, Germany, where he leads cutting-edge research at the intersection of nanotechnology and photonics. His laboratory, located in HG 269, maintains active collaborations across multiple international institutions as evidenced by his extensive publication record. Dr. Fritzsche's research spans multiple nanotechnology domains with particular emphasis on plasmonic nanoparticles, nanozymes, and optical sensing platforms. His work demonstrates exceptional versatility across fundamental nanomaterial synthesis and practical biomedical applications. Recent projects include developing innovative antibiofilm agents using β-cyclodextrin inclusion complexes, engineering laccase-mimetic nanozymes for food safety monitoring, and creating plasmonic nanocomposites for antibacterial applications. His expertise in localized surface plasmon resonance (LSPR) sensing has led to significant advancements in real-time monitoring of nanomaterial interactions and biosensing platforms. Analysis of his recent publication trajectory reveals a strategic research focus on translating nanomaterial discoveries into practical diagnostic and therapeutic applications. His work demonstrates increasing integration of multiple nanotechnology approaches, particularly combining plasmonics with enzymatic mimetics and advanced imaging techniques. The consistent high-impact journal placements across chemistry, materials science, and biomedical engineering publications indicate strong cross-disciplinary recognition of his contributions to nanobiophotonics. While no specific awards are mentioned in the available documentation, Professor Fritzsche's leadership position at a Leibniz Association institute and his prolific publication record in top-tier journals represent significant professional recognition. His research program appears well-funded through the substantial output of collaborative papers spanning multiple application areas. Professor Fritzsche maintains an active research laboratory focused on nanobiophotonics, with particular expertise in plasmonic nanoparticle synthesis, surface functionalization techniques, and optical biosensing platforms. His team appears to specialize in bridging fundamental nanomaterial properties with practical biomedical applications, particularly in infection control, cancer therapy, and diagnostic technologies. The interdisciplinary nature of his publications suggests collaboration across chemistry, physics, biology, and medical research domains.

• Nanobiophotonics
• Plasmonic Nanoparticles
• Biosensors
• +4 more

Prof. Dr. Georg Garnweitner is a full Professor of Nanomaterials at the Institute for Particle Technology , Faculty of Mechanical Engineering, Technische Universität Braunschweig. He has served as Dean of Studies since 2023, DFG Liaison Lecturer since 2021, and head of the Laboratory for Emerging Nanometrology (LENA) board since 2013. University Professorship in Nanomaterials (2013–present) Junior Professorship in Nanoparticles/Nanocomposites (2007–2013) Research at Max Planck Institute (2005–2006) His research focuses on nanomaterial synthesis , non-aqueous nanoparticle formation , and energy storage materials , particularly for lithium-sulfur batteries. He also explores drug delivery systems using silica aerogels and optofluidic particle analysis . His work combines materials science , surface chemistry , and advanced characterization techniques . Recent publications highlight breakthroughs in solid-state electrolyte design (2023), solvent-free drug loading (2022), and nanoparticle migration dynamics (2020). He contributes to crystal engineering (2021) and population balance modeling (2017) for nanoparticle formation.

• Nanomaterials Synthesis
• Non-aqueous Nanoparticle Formation
• Solid-State Battery Materials
• +5 more

Prof. Dr. Thomas Taubner serves as a Professor at the Institute of Physics within the Faculty of Mathematics, Computer Science and Natural Sciences at RWTH Aachen University. He leads the IR Nano-Optics and Metamaterials research group, operating from Campus Melaten (Physics Building 26, Room A 104). His team focuses on cutting-edge nanophotonic technologies with applications in infrared optics and reconfigurable optical systems. Taubner's research spans nanophotonics, infrared spectroscopy, metamaterials, and phase-change materials, with particular expertise in plasmonic phase-change materials like In 3 SbTe 2 . His group pioneers techniques for dynamic control of light at the nanoscale through near-field microscopy, beam steering, and thermal emission manipulation. Key areas include 2D material characterization, phonon polariton engineering, and ultrafast optical phenomena in semiconductor heterostructures. Analysis of his recent publications reveals a dominant focus on programmable infrared nanophotonics using plasmonic phase-change materials. His work consistently demonstrates reconfigurable optical devices through direct laser writing, geometric phase metasurfaces, and real-space imaging of confined electromagnetic waves. The research shows strong interdisciplinary connections between condensed matter physics, materials science, and optical engineering, with practical applications in thermal management, sensing, and next-generation optical computing. Prof. Taubner actively supervises doctoral and master's students, regularly advertising thesis positions and doctoral openings through his research group. His team maintains advanced laboratory facilities for nanofabrication, near-field optical characterization, and ultrafast spectroscopy, supporting both fundamental research and technology development in infrared nanooptics.

• Nanophotonics
• Infrared Spectroscopy
• Metamaterials
• +4 more

Prof. Dr. Sebastian Schlücker is a full professor in the Department of Physical Chemistry at the University of Duisburg-Essen , where he leads the Molecular Biophotonics and Nanodiagnostics research group within the Faculty of Chemistry. He is actively engaged in research, teaching, and academic leadership, with a strong focus on advanced spectroscopic techniques for biomedical and analytical applications. His research interests lie at the intersection of nanophotonics, plasmonics, and bioanalytical chemistry . Key areas include surface-enhanced Raman spectroscopy (SERS) , single-particle spectroscopy , laser diagnostics , and the design of functionalized metal colloids for biosensing and tumor diagnostics. He emphasizes a theory-guided approach combining simulation and experiment to tailor nanoparticle properties. His recent publications (2023–2025) reflect a strong trend toward quantitative, label-free molecular diagnostics , point-of-care testing , and in situ monitoring of catalytic and biological processes . The work spans fundamental plasmonics to clinical applications, particularly in cancer detection and immunoassays using SERS nanotags. International Raman Innovation Prize He mentors students and researchers, supervises theses, and collaborates widely across disciplines. His group develops advanced instrumentation, including portable SERS readers , fs-laser laboratories , and automated nanoparticle synthesis systems (e.g., BONAPARTE robot). He teaches master’s courses such as NanoBioPhotonics and Optical Spectroscopy , and is involved in STEM outreach.

• Surface-Enhanced Raman Spectroscopy (SERS)
• Plasmonics
• Nanophotonics
• +12 more

Dr. Xin Chen is a Junior Research Group Leader in the Department of Chemistry at the Free University of Berlin, leading the Chen Group focused on low-dimensional chemistry. His research explores the chemical reactivity and functionalization of two-dimensional materials including transition metal dichalcogenides (TMDs), graphene, and hexagonal boron nitride. Previously, he was a Postdoc at Friedrich-Alexander-Universität Erlangen-Nürnberg and completed his PhD at Trinity College Dublin under Prof. Aidan R. McDonald. Dr. Chen's educational background includes: PhD in Inorganic and Synthetic Materials, Trinity College Dublin, the University of Dublin, Ireland (2013-2017) Postdoc at Friedrich-Alexander-Universität Erlangen-Nürnberg (2018-2023) His research focuses on three interconnected areas of low-dimensional chemistry. First, functionalization of 2D materials where he explores chemical reactivity of TMDs, graphene, and h-BN with various compounds to customize material properties. Second, 2D heterostructures development, creating synthetic concepts for spatially well-defined structures with atomic-level precision. Third, chemistry under confinement, examining how dimensionally confined surfaces affect chemical reactions. These research areas hold potential for applications in sensing, sieving, catalysis, and energy conversion. Dr. Chen's publication record demonstrates consistent focus on 2D materials chemistry, particularly transition metal dichalcogenides. His work shows evolution from fundamental functionalization studies toward sophisticated applications in heterostructure engineering and energy conversion. Recent publications highlight innovative approaches to patterned assembly using laser techniques, orthogonal functionalization strategies, and energy conversion platforms. His research consistently bridges fundamental chemistry with practical nanotechnology applications. Dr. Chen has received several prestigious awards: FUB Start-up Funding from Freie Universität Berlin (2024-2025) SupraFAB Start Funding from Freie Universität Berlin (2023-2025) Emerging Talents Initiative from Friedrich-Alexander-Universität Erlangen-Nürnberg (2022-2023) PhD Scholarship from Science Foundation Ireland (2013-2017) Government of Ireland International Education Scholarship (2014) Dr. Chen actively mentors doctoral candidates, master's students, and research interns in his group. Current students include Sofiia Zuieva (Doctoral candidate focusing on organic synthesis and 2D heterostructures) and Atthawut Sudsamart (Master's student researching photochemistry of TMDs). He has secured multiple research grants to support his work on 2D materials, including startup funding from FU Berlin and the SupraFAB facility. His group welcomes motivated students through external scholarships or research internships. Dr. Chen's research is conducted at the Forschungsbau SupraFAB facility at FU Berlin, with access to fully-equipped chemistry and nanofabrication laboratories. His team consists of doctoral candidates, master's students, and research assistants working collaboratively on low-dimensional chemistry. The group offers professional training in organic synthesis, material processing, and advanced characterization techniques, fostering a dynamic and international research environment focused on cutting-edge nanotechnology.

• Low-dimensional Chemistry
• 2D Materials
• Organic Synthesis
• +3 more

Carolin Müller is a Juniorprofessor for the Theory of Electronically Excited States at the Friedrich-Alexander University Erlangen-Nuremberg since November 2023. Previously, she was a Feodor Lynen Postdoctoral Researcher at the University of Luxembourg (June 2022-October 2023) and a Postdoctoral Researcher at Friedrich Schiller University Jena (March 2021-May 2022). Dr. Müller received her B.Sc. (2016) and M.Sc. (2018) in Chemistry from Friedrich Schiller University Jena, followed by her Ph.D. (Dr. rer. nat) in 2021 from the same institution. Her doctoral research focused on "Towards Operando Spectroscopy of Supramolecular Photocatalysts – A Case Study on Ru-dppz-derived Systems" under the supervision of Prof. B. Dietzek-Ivanšić. Dr. Müller's research focuses on the theoretical understanding of photoinduced processes in molecules and materials. Her group (CPC Group) investigates electron transfer processes, isomerization reactions, and excited-state dynamics with the goal of controlling and optimizing light-driven processes for increased reactivity and efficiency. Her work combines computational chemistry, spectroscopy, and machine learning approaches, specifically utilizing methods like TD-DFT, CASSCF, molecular/quantum dynamics, and cheminformatics techniques including SVD, MCR, and global/target lifetime analysis. Her recent publications demonstrate a strong interdisciplinary approach spanning computational chemistry, spectroscopy, and machine learning. Key themes include nonadiabatic molecular dynamics, excited-state simulations, photoswitch design, photocatalysis, and the development of computational tools like KiMoPack for kinetic modeling. Her work often bridges theoretical predictions with experimental validation through close collaboration with spectroscopy research groups. Feodor Lynen Research Fellowship (Alexander von Humboldt Foundation) Thuringian Research Award 2023 for Applied Research Albert-Weller Award (German Chemical Society) Dissertation Award (Faculty of Chemistry and Earth Sciences) FCI Kekulé PhD fellowship As a Juniorprofessor, Dr. Müller leads the CPC Group at FAU, where she mentors students in computational chemistry research. She has developed expertise in combining spectroscopic techniques (resonance Raman, transient absorption, and time-resolved emission spectroscopy) with computational methods and cheminformatics approaches. She also actively contributes to the scientific community through service roles including co-organizing the ESTML 2023 Workshop and serving as an active member in the yPC organization of the German Bunsen Society. Dr. Müller is actively developing the CPC Group research program at the Computer Chemistry Center, focusing on light-induced physical processes and chemical reactions. Her group combines quantum chemistry, chemoinformatics, and experimental spectroscopy to reveal mechanisms behind photoinduced phenomena and optimize light-driven processes.

• Computational Chemistry
• Molecular Dynamics
• Machine Learning
• +7 more