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• Machine Learning in Computational Chemistry
• Theoretical Chemistry
• Excited-State Molecular Dynamics
• +10 more

Junior Professor Dr. Julia Westermayr leads the Theoretical Chemistry of Materials Design group at the Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry (Leipzig University). Her interdisciplinary research bridges machine learning , quantum chemistry , and materials science to advance molecular simulations and reaction mechanism discovery. Academic rank: Assistant Professor (Junior Professor) Research focus: AI-driven excited-state dynamics, interatomic potentials, CO₂ conversion, and photocatalysis Key collaborators: Bell Flavors & Fragrances GmbH, ScaDS.AI, TU Berlin, University of Vienna Her team develops transferable ML models for nonadiabatic molecular dynamics , enabling long-timescale simulations of photodriven processes at metal surfaces and solvent environments . Recent work includes equivariant neural networks for UV absorption spectra and generative AI for molecular design . The group actively trains PhD students like Daniel Bitterlich, Peter Fichtelmann, and Robin Curth, while hosting international researchers from institutions like Bologna and Vienna. Research trends span Computational Chemistry (15/15 articles), with subfields including Excited-State Nonadiabatic Dynamics , Interatomic Potential Modeling , Photochemistry , Semiconductor Design , Reaction Mechanism Discovery , and ML-Augmented Quantum Simulations . The group participates in major scientific collaborations (DFG Cluster of Excellence, ScaDS.AI) and industry partnerships (Bell Flavors & Fragrances GmbH). They host regular research stays (e.g., Sascha Mausenberger from Vienna) and student internships , while maintaining active presence at conferences like PsiK2025 .

Andreas DaumView profile

Professor

• Project Management
• Controlling
• Cost and Performance Accounting
• +3 more

Prof. Dr. Andreas Daum serves as a Professor in the Department of Business Administration (F4BWL) at the University of Applied Sciences and Arts Hannover, Faculty IV Business and Information Technology. His institutional responsibilities include membership on the Examination Committee of the Business Administration Department, the Senate Commission for Continuing Education, and serving as Auditor of the corporate assets of HsH. He also holds significant external roles as Deputy Head of the VDI Project Management Working Group in Hanover and Head of the GPM Regional Group Hanover. Dr. Daum's research spans project management methodologies, controlling systems, and cost accounting frameworks with particular emphasis on practical application. His work bridges theoretical knowledge with real-world implementation, especially in agile project management, IT project execution, and organizational transformation. He has made substantial contributions to understanding project management certifications' value and the rapid adoption of agile methods across various industries. His teaching portfolio includes General Business Administration, Cost and Performance Accounting, Controlling, and Project Management. His publication record reveals a clear evolution in focus from traditional project management approaches to contemporary agile methodologies. Recent work emphasizes the growing importance of certification value and agile transformation in project management, while earlier publications established foundational knowledge in business administration for specialized professions like engineers and lawyers. This trajectory reflects both his scholarly development and the industry's shifting priorities toward flexibility and adaptability. Certified Senior Project Manager IPMA Level B Benchmark trainer for the authorized training partners of the German Society for Project Management (GPM) Dr. Daum actively supervises student research with recent theses focusing on IT project management optimization, agile working methods in public administration, and digital transformation in municipal contexts. His industry engagement extends through membership on the Hanover Chamber of Industry and Commerce examination board for Certified Controller IHK and participation in the cooperative Doctoral College with the University of Vechta. He also contributes to research through the MARESTO project funded by the Federal Ministry for Economic Affairs and Energy.