Projects per year
UN Sustainable Development Goals
In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):
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Dive into the research topics where Department of Theoretical Chemistry is active. These topic labels come from the works of this organisation's members. Together they form a unique fingerprint.
Collaborations and top research areas from the last five years
Recent external collaboration on country/territory level. Dive into details by clicking on the dots or
Persons
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Anne-Susann Abel
- Faculty of Chemistry, Department of Theoretical Chemistry - Academic third-party funded project staff
Person: Academic staff
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Brigitta Bachmair
- Faculty of Chemistry, Department of Theoretical Chemistry - Academic third-party funded project staff
Person: Academic staff
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MECS: Materials for Energy Conversion and Storage
Gonzalez Herrero, L., Rupprechter, G., Diebold, U., Kunze-Liebhäuser, J., Freunberger, S., Kresse, G., Bonifazi, D. & Kotakoski, J.
1/10/23 → 30/09/28
Project: Research funding
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Excited-State Dynamics of Molecular Solar Thermal Fuels
Gonzalez Herrero, L. & Ganguly, G.
1/10/23 → 30/09/26
Project: Research funding
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All-Atom Molecular Dynamics Simulations of Grafted Poly(N,N-dimethylaminoethyl methacrylate) Brushes
Tippner, S., Hernández-Castillo, D., Schacher, F. H. & González, L., 20 Feb 2025, In: Journal of Physical Chemistry B. 129, 7, p. 2105-2114 10 p.Publications: Contribution to journal › Article › Peer Reviewed
Open Access -
A message-passing approach to obtain the trace of matrix functions with applications to network analysis
Guzman, G. E. C., Stadler, P. & Fujita, A., 2025, (E-pub ahead of print) In: Numerical Algorithms.Publications: Contribution to journal › Article › Peer Reviewed
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A sedimentary ancient DNA perspective on human and carnivore persistence through the Late Pleistocene in El Mirón Cave, Spain
Gelabert, P., Oberreiter, V., Straus, L. G., Morales, M. R. G., Sawyer, S., Marín-Arroyo, A. B., Geiling, J. M., Exler, F., Brueck, F., Franz, S., Cano, F. T., Szedlacsek, S., Zelger, E., Hämmerle, M., Zagorc, B., Llanos-Lizcano, A., Cheronet, O., Tejero, J-M., Rattei, T., Kraemer, S. M., & 1 others, 2 Jan 2025, In: Nature Communications. 16, 1, 13 p., 107.Publications: Contribution to journal › Article › Peer Reviewed
Open Access
Activities
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Marcus Theory Insights into the Challenges of Using Iron (Fe) as a Replacement for Ruthenium (Ru) in Molecular Solar–Thermal (MOST) Fuel
Leticia Gonzalez Herrero (Contributor) & Gaurab Ganguly (Contributor)
14 Dec 2024Activity: Talks and presentations › Poster presentation › Science to Science
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In Silico Understanding and Design of Photocatalysts
Laurens van Dam (Speaker) & Johannes Dietschreit (Contributor)
21 Oct 2024Activity: Talks and presentations › Talk or oral contribution › Science to Science
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From PXX to Metal-Organic Frameworks: Current Computational Approaches for Photocatalysts and Future Perspectives
Laurens van Dam (Contributor), Patrick Lechner (Contributor), Johannes Dietschreit (Contributor) & Leticia Gonzalez Herrero (Contributor)
21 Oct 2024Activity: Talks and presentations › Poster presentation › Science to Science
Prizes
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ChemPubSoc Europe Fellow (Class 2016/2017)
Gonzalez Herrero, Leticia (Recipient), 11 Jul 2018
Prize: Fellowship
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Corresponding Member in the Mathematics and Natural Sciences Class of The Göttingen Academy of Sciences and Humanities in Lower Saxony
Gonzalez Herrero, Leticia (Recipient), 2022
Prize: Prize, award or honor
Press/Media
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Maus-Genom unterstützt humane biomedizinische Diagnostik
24/11/14
1 item of Media coverage
Press/Media: Public Engagement Activities
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Von Mäusen und Menschen: Maus-Genom unterstützt humane biomedizinische Diagnostik
24/11/14
1 item of Media coverage
Press/Media: Public Engagement Activities